1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine

C₃₈H₇₆NO₈PCAS 69525-80-0706.00 g/mol

Open in Covalent MOL file

Ester Phosphate

Properties

Molecular formula: C₃₈H₇₆NO₈P
Molar mass: 706.00 g/mol
Exact mass: 705.5309 Da
logP: 9.83Crippen estimate
Polar surface area: 111.2 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 36

Identifiers

CAS number

69525-80-0

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChIKey

RFVFQQWKPSOBED-PSXMRANNSA-N

InChI

InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1

Weigh it out

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

Names and synonyms

4 names

3,5,8-Trioxa-4-phosphatetracosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxotetradecyl)oxy]methyl]-, inner salt, 4-oxide, (7R)-
3,5,8-Trioxa-4-phosphatetracosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxotetradecyl)oxy]methyl]-, inner salt, 4-oxide, (R)-
MPPC
Phosphatidylcholine 30:0

Work with 1-Myristoyl-2-palmitoyl-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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