chempirical

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−OOHOHOOONa+
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

Identifiers

CAS number
200880-41-7
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC.[Na+]
InChIKey
ZDTRCZFSIBOLMV-ODZMYOIVSA-N
InChI
InChI=1S/C38H75O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36,39-40H,3-34H2,1-2H3,(H,43,44);/t35?,36-;/m1./s1

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

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

Elsewhere

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