Basic information
- CAS
64286-95-9- Standard SMILES
O=C(N[C@H](Cc1ccccc1)C(=O)OC(Br)CBr)OCc1ccccc1- InChIKey
MKSYZNVUGBAASI-TZHYSIJRSA-N- Molecular formula
- C19H19Br2NO4
- Average molar mass
- 485.2 g/mol
Names & identifiers
- Preferred name
- Alanine, N-benzyloxycarbonyl-3-phenyl-, 1,2-dibromoethyl ester, D-
- IUPAC
- 1,2-dibromoethyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
- English name
- N-(Benzyloxycarbonyl)-D-phenylalanine 1,2-dibromoethyl ester
- Molecular formula
- C19H19Br2NO4
- Molecular weight
- 485.17
Names & synonyms
64286-95-9ALANINE, N-BENZYLOXYCARBONYL-3-PHENYL-, 1,2-DIBROMOETHYL ESTER, D-RefChem:1076304D-N-Benzyloxycarbonyl-3-phenylalanine 1,2-dibromoethyl esterCHEMBL3276001N-(Benzyloxycarbonyl)-D-phenylalanine 1,2-dibromoethyl esterDB-320513D-Phenylalanine, N-[(phenylmethoxy)carbonyl]-, 1,2-dibromoethyl ester
Database identifiers
- CAS
64286-95-9- PubChem CID
- 47332
- ChEMBL
CHEMBL3276001- Nikkaji
- J74.948F
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Boiling point
- 589 · 589.0±50.0 °C(Predicted)
- Density
- 1.573 · 1.573±0.06 g/cm3(Predicted)
- pka
- 10.7 · 10.70±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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