((Benzyloxy)carbonyl)-L-allothreonine
Basic information
- Standard SMILES
C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)O- InChIKey
IPJUIRDNBFZGQN-WPRPVWTQSA-N- Molecular formula
- C12H15NO5
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.09502258
Names & identifiers
- Preferred name
- ((Benzyloxy)carbonyl)-L-allothreonine
- IUPAC
- (2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid
Names & synonyms
85995-53-5((Benzyloxy)carbonyl)-L-allothreonineCbz-L-allothreonineCbz-Allo-Thr-OH(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acidMFCD02094408(2S,3S)-2-(((Benzyloxy)carbonyl)amino)-3-hydroxybutanoic acid41151-16-0Z-allo-Thr-OHSCHEMBL10663359IPJUIRDNBFZGQN-WPRPVWTQSA-N(2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid
Show more names
AT21344AS-92516SY485946CS-0130582(2S,3S)-2-(Cbz-amino)-3-hydroxybutanoic AcidEN300-6747083F552397
Database identifiers
- PubChem CID
- 853483
- Nikkaji
- J928.257B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
3 records
Compound notes
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