Cdpc-phospholipid
Basic information
- CAS
117894-50-5- Standard SMILES
CCCCCCCCOc1ccc(N=Nc2ccc(C(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)c3ccc(N=Nc4ccc(OCCCCCCCC)cc4)cc3)cc2)cc1- InChIKey
JIEHVFNLWXQWOB-QSCHNALKSA-N- Molecular formula
- C50H68N5O10P
- Average molar mass
- 930.1 g/mol
- Monoisotopic mass
- 929.47038038
Names & identifiers
- Preferred name
- Cdpc-phospholipid
- IUPAC
- [(2R)-2,3-bis[[4-[(4-octoxyphenyl)diazenyl]benzoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- bis(4'-n-octanoxyazobenzene-4-carboxyl)phosphatidylcholine
- Molecular formula
- C50H68N5O10P
- Molecular weight
- 930.08
Names & synonyms
Cdpc-phospholipid117894-50-5SCHEMBL31294836Bis(4'-n-octanoxyazobenzene-4-carboxyl)phosphatidylcholine2,6,8-Trioxa-7-phosphadecan-10-aminium, 7-hydroxy-N,N,N-trimethyl-4-((4-((4-(octyloxy)phenyl)azo)benzoyl)oxy)-1-(4-((4-(octyloxy)phenyl)azo)phenyl)-1-oxo-, hydroxide, inner salt, 7-oxide, (R)-2,6,8-Trioxa-7-phosphadecan-10-aminium, 7-hydroxy-N,N,N-trimethyl-4-[[4-[[4-(octyloxy)phenyl]azo]benzoyl]oxy]-1-[4-[[4-(octyloxy)phenyl]azo]phenyl]-1-oxo-, inner salt, 7-oxide, (R)-
Database identifiers
- CAS
117894-50-5- PubChem CID
- 219028
Properties
Computed structural properties
- XLogP
- 12.4
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 34
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,410
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Compound notes
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