POPS-Na
Also known as 16:0-18:1 PS (POPS), sodium, (2S)-2-azaniumyl-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate, 2-?Oleoyl-?1-?palmitoyl-?sn-?glycero-?3-?phospho-?L-?serineSodiumSalt
Key facts
What buyers check first
- CAS number
- 321863-21-2
- Formula
- C40H75NNaO10P
- Molar mass
- 784.00 g/mol
- HS code
- 292250
- Category
- Lipids and fatty acids
What is POPS-Na?
Plain description, key identifiers and synonyms
POPS-Na is a chemical substance with the molecular formula C40H75NNaO10P and a molar mass of 784.00 g/mol. Its CAS registry number is 321863-21-2. The IUPAC name is sodium (2S)-2-azaniumyl-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- sodium (2S)-2-azaniumyl-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate
- CAS number
- 321863-21-2
- Molecular formula
- C40H75NNaO10P
- MDL number
- MFCD00674276
- InChIKey
- RQYKXRYGZHMUSU-JEAFVVATSA-M
- InChI
- InChI=1S/C40H76NO10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47);/q;+1/p-1/b18-17-;/t36-,37+;/m1./s1
- Canonical SMILES
- CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC([NH3+])C(=O)[O-].[Na+]
- Isomeric SMILES
- CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
Synonyms
- 16:0-18:1 PS (POPS)
- sodium, (2S)-2-azaniumyl-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate
- 2-?Oleoyl-?1-?palmitoyl-?sn-?glycero-?3-?phospho-?L-?serineSodiumSalt
- 16:0-18:1 PS (POPS), 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt), chloroform
- 16:0-18:1 PS (POPS), 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt), powder
- Sodium (2S)-2-Amino-3-[[hydroxy[(R)-2-(oleoyloxy)-3-(palmitoyloxy)propoxy]phosphoryl]oxy]propanoate
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 784.00 g/molcalc.Computed value |
|---|---|
| Exact mass | 783.5026 Dacalc.Computed value |
| LogP (octanol/water) | 4.83calc.Computed value |
| Topological polar surface area | 179 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 10calc.Computed value |
| Rotatable bonds | 39calc.Computed value |
| Heavy atoms | 53calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.88calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 3calc.Computed value |
| Components | 2calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
POPS-Na suppliers
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Where suppliers are based
1 supplier in 1 country
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POPS-Na price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code POPS-Na is traded under.
Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function
- China39.2%
- United Kingdom27.1%
- India * partner reported4.8%
- United States20.7%
- Germany7.6%
- Italy6.6%
* Partner reported figures, a lower bound.
The HS code shown for POPS-Na is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Parent compound
The neutral parent of this salt, hydrate or mixture
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
![(2S,8R,18Z)-2-Amino-5-hydroxy-10-oxo-8-[[(1-oxohexadecyl)oxy]methyl]-4,6,9-trioxa-5-phosphaheptacos-18-enoic acid 5-oxide monosodium salt chemical structure, C40H76NNaO10P+](/s/RQYKXRYGZHMUSU-JEAFVVATSA-N.svg)
![16:0-D31-18:1 PS, 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-[phospho-L-serine] (sodium salt), chloroform chemical structure, C40H75NNaO10P, CAS 327178-96-1](/s/RQYKXRYGZHMUSU-XETPNRLVSA-M.svg)
 chemical structure, C40H75NNaO10P](/s/RQYKXRYGZHMUSU-KEWWRHJKSA-M.svg)
![Sodium 2-azaniumyl-3-[(3-hexadecanoyloxy-2-octadec-9-enoyloxypropoxy)-oxidophosphoryl]oxypropanoate chemical structure, C40H75NNaO10P](/s/RQYKXRYGZHMUSU-UHFFFAOYSA-M.svg)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![Sodium 2-azaniumyl-3-[(3-octadecanoyloxy-2-octadec-9-enoyloxypropoxy)-oxidophosphoryl]oxypropanoate chemical structure, C42H79NNaO10P](/s/ALPKKMIPHGSQRX-UHFFFAOYSA-M.svg)
![Sodium (2S)-2-azaniumyl-3-[[(2R)-3-octadecanoyloxy-2-octadec-9-enoyloxypropoxy]-oxidophosphoryl]oxypropanoate chemical structure, C42H79NNaO10P](/s/ALPKKMIPHGSQRX-MBAWARMDSA-M.svg)
![Sodium (2S,8R,19Z,22Z)-2-azaniumyl-8-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}-5-oxido-5,11-dioxo-4,6,10-trioxa-5lambda~5~-phosphaoctacosa-19,22-dien-1-oate chemical structure, C42H73NNaO10P, CAS 321883-39-0](/s/UVFDOHNSRSJPOV-ZMRXOJHASA-M.svg)
![Sodium (2S,8R)-2-azaniumyl-8-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}-5-oxido-5,11-dioxo-4,6,10-trioxa-5lambda~5~-phosphaoctacosan-1-oate chemical structure, C42H77NNaO10P, CAS 322647-11-0](/s/AHMHWPOYIVVEKN-PTDXFASBSA-M.svg)
![Sodium (2S)-2-azaniumyl-3-[[(2R)-3-hexadecanoyloxy-2-octadeca-9,12-dienoyloxypropoxy]-oxidophosphoryl]oxypropanoate chemical structure, C40H73NNaO10P](/s/WPLLCKLCLMRAPV-JBEIVTSCSA-M.svg)
![Sodium (2S)-2-azaniumyl-3-[[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate chemical structure, C40H73NNaO10P](/s/WPLLCKLCLMRAPV-ZJYXJDGFSA-M.svg)
Same formula isomers
Different compounds that share this molecular formula
![Sodium (2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoate chemical structure, C40H75NNaO10P](/s/id-129850578.svg)
![Sodium (2S)-2-amino-3-[[(2R)-2-hexadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoate chemical structure, C40H75NNaO10P, CAS 2389048-56-8](/s/QKPXXPNOIWGYEJ-JEAFVVATSA-M.svg)
![Sodium [(2S)-2-amino-2-carboxyethyl] [(2R)-2-hexadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] phosphate chemical structure, C40H75NNaO10P](/s/id-168006658.svg)
Frequently asked questions
Quick answers about POPS-Na, based on the data on this page
What is POPS-Na?
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What is the molecular formula and weight of POPS-Na?
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Guides for buyers
Practical guides that help when you source, ship or handle POPS-Na
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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