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Basic information
- Standard SMILES
CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1CC(C2CCCCC2)CC1C(=O)[O-])C(C)C- InChIKey
BIDNLKIUORFRQP-UHFFFAOYSA-M- Molecular formula
- C30H45NO7P-
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.29336477
Names & identifiers
- Preferred name
- 4-Cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate
- IUPAC
- 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate
Database identifiers
- PubChem CID
- 3419
Properties
Computed structural propertiesFilling in
- XLogP
- 6.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- -1
- Complexity
- 845
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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