chempirical

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

C44H88NO8PCAS 816-94-4790.16 g/mol

Open in Covalent MOL file
OOOPOO−ON+OO
EsterPhosphate

Properties

Molecular formula
C44H88NO8P
Molar mass
790.16 g/mol
Exact mass
789.6248 Da
Melting point
230.5–231.5 °C
logP
12.17Crippen estimate
Polar surface area
111.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
42

Identifiers

CAS number
816-94-4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChIKey
NRJAVPSFFCBXDT-HUESYALOSA-N
InChI
InChI=1S/C44H88NO8P/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/h42H,6-41H2,1-5H3/t42-/m1/s1

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

Names and synonyms

30 names · show all
  • L-β,γ-Distearoyl-α-lecithin
  • Distearoyl-L-α-phosphatidylcholine
  • L-Distearoyllecithin
  • Distearoyl-L-α-glycerophosphocholine
  • L-β,γ-Distearoyl-α-phosphatidylcholine
  • Distearoyl sn-3-phosphatidylcholine
  • 1,2-Distearoyl-sn-3-phosphocholine
  • 1,2-Distearoyl-sn-glycerophosphocholine
  • DSPC
  • 1,2-Bis(stearoyl)-sn-glycero-3-phosphocholine
  • 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, inner salt, 4-oxide, (R)-
  • Distearoylphosphatidylcholine
  • 1,2-Dioctadecanoyl-sn-glycero-3-phosphocholine
  • Distearoyl-sn-glycero-3-phosphocholine
  • Coatsome MC 8080
  • 1,2-Distearoyl-sn-glycero-3-phosphatidylcholine
  • L-DSPC
  • [(2R)-2,3-Di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
  • 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, inner salt, 4-oxide, (7R)-
  • Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-distearin, L-
  • 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)-
  • Choline phosphate, 3-ester with L-1,2-distearin
  • Distearoyl-L-α-lecithin
  • 1,2-Distearoyl-sn-glycero-3-phosphorylcholine
  • Dioctadecanoyl-L-α-glycerophosphorylcholine
  • L-α-Distearoylphosphatidylcholine
  • 1,2-L-α-Distearoylphosphatidylcholine
  • β,γ-Distearoyl L-α-phosphatidylcholine
  • 1,2-Distearoyl-L-α-glycerophosphocholine
  • 1,2-Distearoyl-3-sn-phosphatidylcholine

Work with 1,2-Distearoyl-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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