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)]-
Properties
- Molecular formula
- C38H74NO8P
- Molar mass
- 703.98 g/mol
- Exact mass
- 703.5152 Da
- logP
- 9.61Crippen estimate
- Polar surface area
- 111.2 Ų
- H-bond donors / acceptors
- 0 / 8
- Rotatable bonds
- 35
- Stereocentres
- Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
91917-72-5SMILES
CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)CInChIKey
LPUZRKCOBURCPA-UAIAYBLDSA-NInChI
InChI=1S/C38H74NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-15-13-11-9-7-2/h18-19,36H,6-17,20-35H2,1-5H3/b19-18-/t36-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 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)]-
Similar compounds
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1-Lauroyl-2-myristoyl-sn-glycero-3-phosphocholine127702-66-391 % similar
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Tanimoto similarity of circular fingerprints over the whole catalogue.