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Heterocyclic compounds

Phad

Also known as 3D-Monophosphoryl Lipid (14)

CAS 252042-59-4Formula C96H181N2O21PMolar mass 1,730.47 g/mol
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Phad chemical structure, C96H181N2O21P, CAS 252042-59-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
252042-59-4
Formula
C96H181N2O21P
Molar mass
1,730.47 g/mol
HS code
293299
Category
Heterocyclic compounds

What is Phad?

Plain description, key identifiers and synonyms

Phad is a chemical substance with the molecular formula C96H181N2O21P and a molar mass of 1,730.47 g/mol. Its CAS registry number is 252042-59-4. The IUPAC name is [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-3-phosphonooxy-5-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]-6-[(2R,3S,4R,5R)-2,3,4-trihydroxy-6-oxo-5-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]hexoxy]oxan-4-yl] (3R)-3-tetradecanoyloxytetradecanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-3-phosphonooxy-5-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]-6-[(2R,3S,4R,5R)-2,3,4-trihydroxy-6-oxo-5-[[(3R)-3-tetradecanoyloxytetradecanoyl]amino]hexoxy]oxan-4-yl] (3R)-3-tetradecanoyloxytetradecanoate
CAS number
252042-59-4
Molecular formula
C96H181N2O21P
UNII
5A35GQS15R
InChIKey
UWZZPPFXKHHIMQ-QXFLKPNTSA-N
InChI
InChI=1S/C96H181N2O21P/c1-7-13-19-25-31-37-40-46-52-58-64-70-87(104)114-79(67-61-55-49-43-34-28-22-16-10-4)73-85(102)97-82(76-99)92(108)93(109)83(101)78-113-96-91(98-86(103)74-80(68-62-56-50-44-35-29-23-17-11-5)115-88(105)71-65-59-53-47-41-38-32-26-20-14-8-2)95(94(84(77-100)117-96)119-120(110,111)112)118-90(107)75-81(69-63-57-51-45-36-30-24-18-12-6)116-89(106)72-66-60-54-48-42-39-33-27-21-15-9-3/h76,79-84,91-96,100-101,108-109H,7-75,77-78H2,1-6H3,(H,97,102)(H,98,103)(H2,110,111,112)/t79-,80-,81-,82+,83-,84-,91-,92-,93-,94-,95-,96-/m1/s1
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@H]([C@H]([C@@H]([C@H](C=O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)O)O)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

Synonyms

  • 3D-Monophosphoryl Lipid (14)

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
1,730.47 g/molcalc.
Exact mass
1,729.2894 Dacalc.
LogP (octanol/water)
22.13calc.
Topological polar surface area
346.6 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
19calc.
Rotatable bonds
88calc.
Heavy atoms
120calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
12calc.
Lipinski rule of five
Fails (4 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCOCC1

C1CCOCC1

1 ring, 6 atoms, the Tetrahydropyran ring system.

12,069 other chemicals share this scaffold

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.

Phad suppliers

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Where suppliers are based

1 supplier in 1 country

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Phad price

Indicative price range per kg from live supplier offers

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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 Phad is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Phad is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Phad, based on the data on this page

What is Phad?

Phad is a chemical substance with the molecular formula C96H181N2O21P and a molar mass of 1,730.47 g/mol. Its CAS registry number is 252042-59-4.

What is the CAS number of Phad?

The CAS registry number of Phad is 252042-59-4.

What is the molecular formula and weight of Phad?

The molecular formula of Phad is C96H181N2O21P and its molar mass is 1,730.47 g/mol.

Is Phad hazardous?

No GHS hazard classification for Phad is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Phad?

Phad is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phad?

CompoundList lists 1 supplier of Phad in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Phad?

Suppliers quote Phad on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Phad

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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