1-Lauroyl-2-stearoyl -sn-glycero-3-phosphocholine

C₃₈H₇₆NO₈PCAS 127912-48-5706.00 g/mol

Open in Covalent MOL file

Ester Phosphate Quaternary ammonium

Properties

Molecular formula: C₃₈H₇₆NO₈P
Molar mass: 706.00 g/mol
Exact mass: 705.5309 Da
logP: 9.83Crippen estimate
Polar surface area: 111.2 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 36

Identifiers

CAS number

127912-48-5

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChIKey

XMMPMEPNQVLMLI-UHFFFAOYSA-N

InChI

InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-15-13-11-9-7-2/h36H,6-35H2,1-5H3

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Names and synonyms

1 names

1-Lauroyl-2-stearoyl-sn-glycero-3-phosphocholine

Work with 1-Lauroyl-2-stearoyl -sn-glycero-3-phosphocholine

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-Lauroyl-2-palmitoyl -sn-glycero-3-phosphocholine127641-76-3100 % similar 1-Lauroyl-2-myristoyl-sn-glycero-3-phosphocholine127702-66-3100 % similar 1-Myristoyl-2-lauroyl-sn-glycero-3-phosphocholine127702-67-4100 % similar 1,2-Dimyristoyl-sn-glycero-3-phosphocholine18194-24-6100 % similar 1,2-Dilauroyl-sn-glycero-3-phosphocholine18194-25-7100 % similar Dipalmitoylphosphatidylcholine63-89-8100 % similar 1,2-Distearoyl-sn-glycero-3-phosphocholine816-94-4100 % similar (7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxododecyl)oxy]-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide82765-47-7100 % similar

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

Same formula

1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine69525-80-0

Elsewhere

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