1,1′-[(1R)-1-[[[(2,3-Dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl] dihexadecanoate sodium salt (1:1)

C38H74NaO10PCAS 200880-41-7744.96 g/mol

Open in Covalent MOL file
OOOPO−OOOHOHOONa+
AlcoholEsterPhosphate

Properties

Molecular formula
C38H74NaO10P
Molar mass
744.96 g/mol
Exact mass
744.4917 Da
logP
9.51Crippen estimate
Polar surface area
148.8 Ų
H-bond donors / acceptors
3 / 9
Rotatable bonds
38
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
200880-41-7
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

5 names
  • Hexadecanoic acid, 1,1′-[(1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl] ester, sodium salt (1:1)
  • Hexadecanoic acid, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, monosodium salt
  • Coatsome MG 6060LS
  • MG 6060LS
  • 1,2-Dipalmitoyl-sn-glycero-3-phospho-(1′-rac-glycerol) sodium salt

Work with 1,1′-[(1R)-1-[[[(2,3-Dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl] dihexadecanoate sodium salt (1:1)

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

Similar compounds

1,2-Dioctadecanoyl-sn-glycero-3-phospho-(1′-rac-glycerol) monosodium salt200880-42-8100 % similar 1,2-Dipalmitoyl-sn-glycero-3-phospho-L-serine (monosodium salt)145849-32-766 % similar Sodium 1,2-dioleoyl-sn-glycero-3-phospho-L-serine90693-88-263 % similar 1-Lauroyl-2-palmitoyl -sn-glycero-3-phosphocholine127641-76-362 % similar 1-Lauroyl-2-myristoyl-sn-glycero-3-phosphocholine127702-66-362 % similar 1-Myristoyl-2-lauroyl-sn-glycero-3-phosphocholine127702-67-462 % similar 1-Lauroyl-2-stearoyl -sn-glycero-3-phosphocholine127912-48-562 % similar 1,2-Dimyristoyl-sn-glycero-3-phosphocholine18194-24-662 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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