Basic information
- CAS
103583-11-5- Standard SMILES
[3H]C([3H])([3H])[N+](CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)c1ccc(C(=O)c2ccccc2)cc1)(C([3H])([3H])[3H])C([3H])([3H])[3H]- InChIKey
BQFHKXKKCMCMST-JACXTXNKSA-N- Molecular formula
- C38H58NO9P
- Average molar mass
- 721.9 g/mol
- Monoisotopic mass
- 721.45893767
Overview
photoactive label
Names & identifiers
- Preferred name
- 1-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine
- IUPAC
- [(2R)-2-(4-benzoylbenzoyl)oxy-3-hexadecanoyloxypropyl] 2-[tris(tritritiomethyl)azaniumyl]ethyl phosphate
- English name
- 1-palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholine
- Molecular formula
- C38H58NO9P
- Molecular weight
- 703.85
Names & synonyms
1-Pbbpc103583-11-51-Palmitoyl-2-(4-benzoyl)benzoyl-3-phosphatidylcholineDTXSID00145920RefChem:76841DTXCID3068411(2R)-2-[(4-Benzoylbenzoyl)oxy]-3-(hexadecanoyloxy)propyl 2-{tris[(~3~H_3_)methyl]azaniumyl}ethyl phosphate
Database identifiers
- CAS
103583-11-5- PubChem CID
- 196364
- DTXSID
DTXSID00145920
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 29
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 962
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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