Basic information
- Standard SMILES
CCCCO[P@](=O)(CCCOCc1ccccc1)COc1ccc(CC(C)NC(=O)OC(C)(C)C)cc1- InChIKey
KBOOEGXKSYQBAG-BEQISVJUSA-N- Molecular formula
- C29H44NO6P
- Average molar mass
- 533.6 g/mol
Names & identifiers
- Preferred name
- (R)-4-(2-t-Butoxycarbonylaminopropyl)phenoxymethyl-(3-benzyloxypropyl)phosphinic acid, n-butyl ester
- IUPAC
- tert-butyl N-[1-[4-[[butoxy(3-phenylmethoxypropyl)phosphoryl]methoxy]phenyl]propan-2-yl]carbamate
Names & synonyms
KBOOEGXKSYQBAG-BEQISVJUSA-N(R)-4-(2-t-Butoxycarbonylaminopropyl)phenoxymethyl-(3-benzyloxypropyl)phosphinic acid, n-butyl ester
Database identifiers
- PubChem CID
- 86752196
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 668
Related reactions
1 records
Compound notes
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