chempirical

1,2-Dipalmitoyl-sn-glycero-3-phospho-L-serine (monosodium salt)

C38H73NNaO10PCAS 145849-32-7757.96 g/mol

Open in Covalent MOL file
OOOPOO−OOO−H3N+OONa+
Carboxylic acidEsterPhosphatePrimary amine

Properties

Molecular formula
C38H73NNaO10P
Molar mass
757.96 g/mol
Exact mass
757.4870 Da
logP
4.27Crippen estimate
Polar surface area
179.0 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
38
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
145849-32-7
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCCCC.[Na+]
InChIKey
GTLXLANTBWYXGW-CEGNZRHUSA-M
InChI
InChI=1S/C38H74NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45);/q;+1/p-1/t34-,35+;/m1./s1

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Work with 1,2-Dipalmitoyl-sn-glycero-3-phospho-L-serine (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

Similar compounds

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

Elsewhere

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