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ACTIVE PHARMA INGREDIENTS

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1 API Suppliers
1 USDMF

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Chemistry

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Also known as: 321595-13-5, 1,2-distearoyl-sn-glycero-3-phospho-l-serine sodium salt, Dsps-na, Dtxsid20677076, J-018658, 1,2-distearoyl-sn-glycero-3-phospho-l-serine, sodium salt

Molecular Formula

C₄₂H₈₁NNaO₁₀P

Molecular Weight

814.1 g/mol

InChI Key

SJRBMGBLPUBGJL-MBAWARMDSA-M

1 2D Structure

1,2-Distearoyl-sn-glycero-3-phospho-L-serine sodium salt

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;(2S)-2-azaniumyl-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate

2.1.2 InChI

InChI=1S/C42H82NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49);/q;+1/p-1/t38-,39+;/m1./s1

2.1.3 InChI Key

SJRBMGBLPUBGJL-MBAWARMDSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 321595-13-5

2. 1,2-distearoyl-sn-glycero-3-phospho-l-serine Sodium Salt

3. Dsps-na

4. Dtxsid20677076

5. J-018658

6. 1,2-distearoyl-sn-glycero-3-phospho-l-serine, Sodium Salt

7. 18:0 Ps, 1,2-distearoyl-sn-glycero-3-phospho-l-serine (sodium Salt), Powder

2.3 Create Date

2010-09-24

3 Chemical and Physical Properties

Molecular Formula	C₄₂H₈₁NNaO₁₀P
Molecular Weight	814.1 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	43
Exact Mass	813.54957906 g/mol
Monoisotopic Mass	813.54957906 g/mol
Topological Polar Surface Area	179 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	923
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2