Alanine, N-benzyloxycarbonyl-3-vinyloxycarbonyl-, vinyl ester, L-
Basic information
- CAS
73680-53-2- Standard SMILES
C=COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC=C- InChIKey
UDBXJDZZHOVCPP-ZDUSSCGKSA-N- Molecular formula
- C16H17NO6
- Average molar mass
- 319.31 g/mol
- Monoisotopic mass
- 319.10558726
Names & identifiers
- Preferred name
- Alanine, N-benzyloxycarbonyl-3-vinyloxycarbonyl-, vinyl ester, L-
- IUPAC
- bis(ethenyl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate
- English name
- N-(Benzyloxycarbonyl)-3-(vinyloxycarbonyl)-L-alanine vinyl ester
- Molecular formula
- C16H17NO6
- Molecular weight
- 319.31
Names & synonyms
73680-53-2ALANINE, N-BENZYLOXYCARBONYL-3-VINYLOXYCARBONYL-, VINYL ESTER, L-L-N-Benzyloxycarbonyl-3-vinyloxycarbonylalanine vinyl esterMalonic acid, benzyloxycarbonylamino-, divinyl ester, L-DTXSID40223933RefChem:318020DTXCID70146424Diethenyl N-[(benzyloxy)carbonyl]-L-aspartateN-(Benzyloxycarbonyl)-L-aspartic acid divinyl ester(2S)-2-[(Benzyloxycarbonyl)amino]succinic acid divinyl esterN-(Benzyloxycarbonyl)-3-(vinyloxycarbonyl)-L-alanine vinyl esterL-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, diethenyl ester (9CI)
Database identifiers
- CAS
73680-53-2- PubChem CID
- 52107
- DTXSID
DTXSID40223933- Nikkaji
- J74.951F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Boiling point
- 458.1 · 458.1±45.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- pka
- 10.19 · 10.19±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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