chempirical

Sodium 1,2-dioleoyl-sn-glycero-3-phospho-L-serine

C42H77NNaO10PCAS 90693-88-2810.04 g/mol

Open in Covalent MOL file
OOOPOO−OOHOH2NOONa+
AlkeneCarboxylic acidEsterPhosphatePrimary amine

Properties

Molecular formula
C42H77NNaO10P
Molar mass
810.04 g/mol
Exact mass
809.5183 Da
logP
7.43Crippen estimate
Polar surface area
174.5 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
40
Stereocentres
R, Sin SMILES atom order
Double bonds
Z, ZE/Z, in SMILES order

Hazards

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

Identifiers

CAS number
90693-88-2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
InChIKey
KPHZNDUWYZIXFY-YORIBCANSA-M
InChI
InChI=1S/C42H78NO10P.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;/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49);/q;+1/p-1/b19-17-,20-18-;/t38-,39+;/m1./s1

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

Names and synonyms

1 names
  • 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine (sodium salt)

Work with Sodium 1,2-dioleoyl-sn-glycero-3-phospho-L-serine

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

Phosphatidylserine51446-62-970 % similar 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine26853-31-663 % similar 1,2-Dioleoyl-sn-glycero-3-phosphocholine4235-95-463 % similar 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine7276-38-263 % similar 3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxododecyl)oxy]methyl]-, inner salt, 4-oxide, [R-(Z)]-91917-72-563 % similar 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine95896-56-363 % similar 1,1′-[(1R)-1-[[[(2,3-Dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl] dihexadecanoate sodium salt (1:1)200880-41-763 % similar 1,2-Dioctadecanoyl-sn-glycero-3-phospho-(1′-rac-glycerol) monosodium salt200880-42-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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