chempirical

1-Oleoyl-sn-glycero-3-phosphocholine

C26H52NO7PCAS 19420-56-5521.68 g/mol

Open in Covalent MOL file
OOOPOO−ON+HO
AlcoholAlkeneEsterPhosphateQuaternary ammonium

Properties

Molecular formula
C26H52NO7P
Molar mass
521.68 g/mol
Exact mass
521.3481 Da
logP
5.14Crippen estimate
Polar surface area
105.1 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
24
Stereocentres
Rin SMILES atom order
Double bonds
ZE/Z, in SMILES order

Identifiers

CAS number
19420-56-5
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChIKey
YAMUFBLWGFFICM-PTGWMXDISA-N
InChI
InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1

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Names and synonyms

1 names
  • 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine

Work with 1-Oleoyl-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-sn-glycero-3-phosphocholine17364-16-891 % similar 1-Stearoyl-sn-glycero-3-phosphocholine19420-57-691 % similar 1-Myristoyl-sn-glycero-3-phosphocholine20559-16-491 % similar 1-Lauroyl-2-hydroxy-sn-glycero-3-phosphocholine20559-18-691 % similar 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine26853-31-677 % similar 1,2-Dioleoyl-sn-glycero-3-phosphocholine4235-95-477 % 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)]-91917-72-577 % similar 1-Lauroyl-2-palmitoyl -sn-glycero-3-phosphocholine127641-76-368 % similar

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

Elsewhere

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