1-Palmitoyl-2-heptadec-10-enylcarbamyloxy-sn-glycero-3-phosphorylcholine
Basic information
- CAS
86161-89-9- Standard SMILES
CCCCCC/C=C\CCCCCCCCCNC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C- InChIKey
QQZIBDNUYKXGPF-KWNHIAGJSA-N- Molecular formula
- C42H83N2O8P
- Average molar mass
- 775.1 g/mol
- Monoisotopic mass
- 774.58870461
Names & identifiers
- Preferred name
- 1-Palmitoyl-2-heptadec-10-enylcarbamyloxy-sn-glycero-3-phosphorylcholine
- IUPAC
- [(2R)-2-[[(Z)-heptadec-10-enyl]carbamoyloxy]-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1-palmitoyl-2-heptadec-10-enylcarbamyloxy-sn-glycero-3-phosphorylcholine
- Molecular formula
- C42H83N2O8P
- Molecular weight
- 775.11
Names & synonyms
1-MPC86161-89-91-Palmitoyl-2-heptadec-10-enylcarbamyloxy-sn-glycero-3-phosphorylcholine3,5,8-Trioxa-10-aza-4-phosphaheptacos-20-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxohexadecyl)oxy)methyl)-, hydroxide, inner salt, 4-oxide, (R-(Z))-RefChem:76854[(2R)-2-[[(Z)-heptadec-10-enyl]carbamoyloxy]-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSCHEMBL295562592-[[(2R)-2-[[(Z)-heptadec-10-enyl]carbamoyloxy]-3-hexadecanoyloxy-propoxy]-oxido-phosphoryl]oxyethyl-trimethyl-azanium
Database identifiers
- CAS
86161-89-9- PubChem CID
- 6439732
Properties
Computed structural properties
- XLogP
- 13.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 41
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 919
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Compound notes
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