1,2-Dioctadecanoyl-sn-glycero-3-phospho-(1′-rac-glycerol) monosodium salt

C₄₂H₈₂NaO₁₀PCAS 200880-42-8801.07 g/mol

Open in Covalent MOL file

Alcohol Ester Phosphate

Properties

Molecular formula: C₄₂H₈₂NaO₁₀P
Molar mass: 801.07 g/mol
Exact mass: 800.5543 Da
logP: 11.07Crippen estimate
Polar surface area: 148.8 Å²
H-bond donors / acceptors: 3 / 9
Rotatable bonds: 42

Identifiers

CAS number

200880-42-8

SMILES

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

InChIKey

IUBKCLFRZBJGPG-QTOMIGAPSA-N

InChI

InChI=1S/C42H83O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h39-40,43-44H,3-38H2,1-2H3,(H,47,48);/t39?,40-;/m1./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Octadecanoic acid, 1,1′-[(1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl] ester, sodium salt (1:1)
Octadecanoic acid, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, monosodium salt

Work with 1,2-Dioctadecanoyl-sn-glycero-3-phospho-(1′-rac-glycerol) monosodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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