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Lipids and fatty acids

Orb3145010

CAS 3091879-22-7Formula C65H119N3NaO20PMolar mass 1,316.63 g/mol
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Orb3145010 chemical structure, C65H119N3NaO20P, CAS 3091879-22-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3091879-22-7
Formula
C65H119N3NaO20P
Molar mass
1,316.63 g/mol
HS code
292519
Category
Lipids and fatty acids

What is Orb3145010?

Plain description, key identifiers and synonyms

Orb3145010 is a chemical substance with the molecular formula C65H119N3NaO20P and a molar mass of 1,316.63 g/mol. Its CAS registry number is 3091879-22-7. The IUPAC name is sodium [(2R)-2,3-di(octadecanoyloxy)propyl] 2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
sodium [(2R)-2,3-di(octadecanoyloxy)propyl] 2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl phosphate
CAS number
3091879-22-7
Molecular formula
C65H119N3NaO20P
InChIKey
QTFXIMGCNPBTQY-ZOVJXLMBSA-M
InChI
InChI=1S/C65H120N3O20P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-63(72)85-57-59(88-64(73)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58-87-89(75,76)86-42-39-67-65(74)84-56-55-83-54-53-82-52-51-81-50-49-80-48-47-79-46-45-78-44-43-77-41-38-66-60(69)37-40-68-61(70)35-36-62(68)71;/h35-36,59H,3-34,37-58H2,1-2H3,(H,66,69)(H,67,74)(H,75,76);/q;+1/p-1/t59-;/m1./s1
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

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
1,316.63 g/molcalc.
Exact mass
1,315.8022 Dacalc.
LogP (octanol/water)
7.74calc.
Topological polar surface area
280.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
20calc.
Rotatable bonds
69calc.
Heavy atoms
90calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
Lipinski rule of five
Fails (3 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, O=C1C=CC(=O)N1

O=C1C=CC(=O)N1

1 ring, 7 atoms, the Maleimide ring system.

636 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.

Orb3145010 suppliers

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Orb3145010 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 Orb3145010 is traded under.

HS 2925.19Indicative HS code

Imides and their derivatives, salts thereof, other

World exports in 2024
$295M
+11.7% vs 2023, imports $348M
2019 to 2024
Top exporters
  1. China29.7%
  2. Japan22.7%
  3. United Kingdom10.0%
Top importers
  1. United States12.7%
  2. Brazil12.6%
  3. China10.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb3145010 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3145010, based on the data on this page

What is Orb3145010?

Orb3145010 is a chemical substance with the molecular formula C65H119N3NaO20P and a molar mass of 1,316.63 g/mol. Its CAS registry number is 3091879-22-7.

What is the CAS number of Orb3145010?

The CAS registry number of Orb3145010 is 3091879-22-7.

What is the molecular formula and weight of Orb3145010?

The molecular formula of Orb3145010 is C65H119N3NaO20P and its molar mass is 1,316.63 g/mol.

Is Orb3145010 hazardous?

No GHS hazard classification for Orb3145010 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 Orb3145010?

Orb3145010 is usually classified under HS code 292519 (Imides and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3145010?

Post a free request on CompoundList and suppliers of Orb3145010 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3145010?

Suppliers quote Orb3145010 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 Orb3145010

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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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