chempirical

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

C36H72NO8PCAS 127641-76-3677.94 g/mol

Open in Covalent MOL file
OOOOOPOO−ON+
EsterPhosphateQuaternary ammonium

Properties

Molecular formula
C36H72NO8P
Molar mass
677.94 g/mol
Exact mass
677.4996 Da
logP
9.05Crippen estimate
Polar surface area
111.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
34

Identifiers

CAS number
127641-76-3
SMILES
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIKey
QQCURFHAGLMXKE-UHFFFAOYSA-N
InChI
InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37(3,4)5)32-42-35(38)28-26-24-22-20-15-13-11-9-7-2/h34H,6-33H2,1-5H3

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Work with 1-Lauroyl-2-palmitoyl -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-myristoyl-sn-glycero-3-phosphocholine127702-66-3100 % similar 1-Myristoyl-2-lauroyl-sn-glycero-3-phosphocholine127702-67-4100 % similar 1-Lauroyl-2-stearoyl -sn-glycero-3-phosphocholine127912-48-5100 % similar 1,2-Dilauroyl-sn-glycero-3-phosphocholine18194-25-7100 % similar Dipalmitoylphosphatidylcholine63-89-8100 % similar 1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine69525-80-0100 % similar 1,2-Distearoyl-sn-glycero-3-phosphocholine816-94-4100 % similar 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine26853-31-691 % similar

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

Same formula

1,2-Dimyristoyl-sn-glycero-3-phosphocholine18194-24-6 (7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxododecyl)oxy]-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide82765-47-7

Elsewhere

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