chempirical

1,2-Dioleoyl-sn-glycero-3-phosphocholine

C44H84NO8PCAS 4235-95-4786.13 g/mol

Open in Covalent MOL file
OOOPOO−ON+OO
EsterPhosphate

Properties

Molecular formula
C44H84NO8P
Molar mass
786.13 g/mol
Exact mass
785.5935 Da
Melting point
−21 °C
logP
11.72Crippen estimate
Polar surface area
111.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
40

Identifiers

CAS number
4235-95-4
SMILES
CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC
InChIKey
SNKAWJBJQDLSFF-NVKMUCNASA-N
InChI
InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1

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

Names and synonyms

32 names · show all
  • L-α-Dioleylphosphatidylcholine
  • 3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-, inner salt, 4-oxide, (7R,18Z)-
  • Choline, hydroxide, dihydrogen phosphate, inner salt, ester with L-1,2-diolein
  • 3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9-octadecenyl)oxy]-, hydroxide, inner salt, 4-oxide, [R-(Z,Z)]-
  • Choline phosphate, 3-ester with L-1,2-diolein
  • 3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z)-1-oxo-9-octadecenyl]oxy]-, inner salt, 4-oxide, (7R,18Z)-
  • Olein, 1,2-di-, L-, dihydrogen phosphate, monoester with choline hydroxide
  • Dioleoyl L-α-lecithin
  • 1,2-Dioleyl-L-lecithin
  • Dioleoyllecithin
  • Dioleoyl-L-α-phosphatidylcholine
  • L-Dioleoylphosphatidylcholine
  • Dioleoyl-L-α-glycerophosphorylcholine
  • 1,2-Dioleoyl-sn-glycero-3-phosphorylcholine
  • L-α-Di(cis-9-octadecanoyl) lecithin
  • 1,2-Dioleoylphosphatidylcholine
  • L-Dioleoyl lecithin
  • 1,2-Dioleoyl-L-α-lecithin
  • Sn-3-Dioleoyllecithin
  • 1,2-Dioleoyl-sn-phosphatidylcholine
  • L-α-Dioleoyllecithin
  • Dioleoyl-3-sn-phosphatidylcholine
  • Dioleoyl-L-α-glycerophosphocholine
  • L-α-Dioleoyl phosphatidylcholine
  • DOPC
  • 3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9-octadecenyl)oxy]-, inner salt, 4-oxide, [R-(Z,Z)]-
  • Dioleoylphosphatidylcholine
  • PDD 111
  • 1,2-Dioleoyl-3-sn-phosphatidylcholine
  • 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
  • 51: PN: WO2017201317 SEQID: 124 claimed DNA
  • 1,2-Dioleoyl-sn-glycero-3-phosphochline

Work with 1,2-Dioleoyl-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

Elsewhere

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