1-Myristoyl-2-lauroyl-sn-glycero-3-phosphocholine

C34H68NO8PCAS 127702-67-4649.89 g/mol

Open in Covalent MOL file
OOOPOO−ON+OO
EsterPhosphateQuaternary ammonium

Properties

Molecular formula
C34H68NO8P
Molar mass
649.89 g/mol
Exact mass
649.4683 Da
logP
8.27Crippen estimate
Polar surface area
111.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
32

Hazards

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

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Identifiers

CAS number
127702-67-4
SMILES
CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
InChIKey
ILWIKTKZALUJSY-UHFFFAOYSA-N
InChI
InChI=1S/C34H68NO8P/c1-6-8-10-12-14-16-17-19-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35(3,4)5)43-34(37)27-25-23-21-18-15-13-11-9-7-2/h32H,6-31H2,1-5H3

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Names and synonyms

1 names
  • 1-Myristoyl-2-lauroyl -sn-glycero-3-phosphocholine

Work with 1-Myristoyl-2-lauroyl-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-stearoyl -sn-glycero-3-phosphocholine127912-48-5100 % similar 1,2-Dimyristoyl-sn-glycero-3-phosphocholine18194-24-6100 % similar 1,2-Dilauroyl-sn-glycero-3-phosphocholine18194-25-7100 % similar 1-Stearoyl-2-myristoylphosphatidylcholine20664-02-2100 % similar 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine59403-51-9100 % similar 1-Stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine59403-53-1100 % similar Dipalmitoylphosphatidylcholine63-89-8100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Lauroyl-2-myristoyl-sn-glycero-3-phosphocholine127702-66-3

Elsewhere

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