chempirical

1-Stearoyl-2-myristoylphosphatidylcholine

C40H80NO8PCAS 20664-02-2734.05 g/mol

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

Properties

Molecular formula
C40H80NO8P
Molar mass
734.05 g/mol
Exact mass
733.5622 Da
logP
10.61Crippen estimate
Polar surface area
111.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
38
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
20664-02-2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChIKey
MZWGYEJOZNRLQE-KXQOOQHDSA-N
InChI
InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1

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Names and synonyms

1 names
  • 1S-2M-Pc

Work with 1-Stearoyl-2-myristoylphosphatidylcholine

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-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-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine69525-80-0100 % similar 1,2-Distearoyl-sn-glycero-3-phosphocholine816-94-4100 % similar

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

Same formula

Dipalmitoylphosphatidylcholine63-89-8

Elsewhere

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