chempirical

1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine

C40H78NO8PCAS 95896-56-3732.04 g/mol

Open in Covalent MOL file
OOOOOPOO−ON+
AlkeneEsterPhosphateQuaternary ammonium

Properties

Molecular formula
C40H78NO8P
Molar mass
732.04 g/mol
Exact mass
731.5465 Da
logP
10.39Crippen estimate
Polar surface area
111.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
37
Stereocentres
Rin SMILES atom order
Double bonds
ZE/Z, in SMILES order

Hazards

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

Identifiers

CAS number
95896-56-3
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIKey
KIVAJCJTVPWSRJ-OQHNRNOKSA-N
InChI
InChI=1S/C40H78NO8P/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/h19-20,38H,6-18,21-37H2,1-5H3/b20-19-/t38-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Oleoyl-2-myristoyl-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-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine26853-31-6100 % similar 1,2-Dioleoyl-sn-glycero-3-phosphocholine4235-95-4100 % similar 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine7276-38-2100 % similar 3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxododecyl)oxy]methyl]-, inner salt, 4-oxide, [R-(Z)]-91917-72-5100 % similar 1-Lauroyl-2-palmitoyl -sn-glycero-3-phosphocholine127641-76-391 % similar 1-Lauroyl-2-myristoyl-sn-glycero-3-phosphocholine127702-66-391 % similar 1-Myristoyl-2-lauroyl-sn-glycero-3-phosphocholine127702-67-491 % similar 1-Lauroyl-2-stearoyl -sn-glycero-3-phosphocholine127912-48-591 % similar

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

Elsewhere

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