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ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

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Chemistry

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Also known as: Sodium;[(2s)-2,3-di(octadecanoyloxy)propyl] hydrogen phosphate, Dtxsid40635638, Akos024418770, J-002098, 1,2-distearoyl-sn-glycero-3-phosphate sodium salt, >=99%, 2-o,3-o-distearoyl-l-glycerol 1-phosphoric acid sodium salt

Molecular Formula

C₃₉H₇₆NaO₈P

Molecular Weight

727.0 g/mol

InChI Key

ALPWRKFXEOAUDR-JFRIYMKVSA-M

1 2D Structure

L-Alpha-Distearoyl Phosphatidic Acid Sodium Salt

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;[(2S)-2,3-di(octadecanoyloxy)propyl] hydrogen phosphate

2.1.2 InChI

InChI=1S/C39H77O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h37H,3-36H2,1-2H3,(H2,42,43,44);/q;+1/p-1/t37-;/m0./s1

2.1.3 InChI Key

ALPWRKFXEOAUDR-JFRIYMKVSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Sodium;[(2s)-2,3-di(octadecanoyloxy)propyl] Hydrogen Phosphate

2. Dtxsid40635638

3. Akos024418770

4. J-002098

5. 1,2-distearoyl-sn-glycero-3-phosphate Sodium Salt, >=99%

6. 2-o,3-o-distearoyl-l-glycerol 1-phosphoric Acid Sodium Salt

7. Sodium (2s)-2,3-bis(octadecanoyloxy)propyl Hydrogen Phosphate

8. 1,2-distearoyl-sn-glycero-3-phosphatidic Acid, Sodium Salt

2.3 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₃₉H₇₆NaO₈P
Molecular Weight	727.0 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	40
Exact Mass	726.51755066 g/mol
Monoisotopic Mass	726.51755066 g/mol
Topological Polar Surface Area	122 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	769
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2