(2R,3S)-N-Benzoyl-3-phenylisoserine
Properties
- Molecular formula
- C16H15NO4
- Molar mass
- 285.30 g/mol
- Exact mass
- 285.1001 Da
- Melting point
- 166–168 °C
- logP
- 2.18Crippen estimate
- Polar surface area
- 90.1 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 5
- Stereocentres
- R, Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
132201-33-3SMILES
O=C(O)[C@H](O)[C@@H](N=C(O)c1ccccc1)c1ccccc1InChIKey
HYJVYOWKYPNSTK-UONOGXRCSA-NInChI
InChI=1S/C16H15NO4/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13-14,18H,(H,17,19)(H,20,21)/t13-,14+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (αR,βS)-
- Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, [R-(R*,S*)]-
- (αR,βS)-β-(Benzoylamino)-α-hydroxybenzenepropanoic acid
- N-Benzoyl-(2R,3S)-3-phenylisoserine
- (2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropionic acid
- N-Benzoyl-3-phenylisoserine, (2R,3S)-
Work with (2R,3S)-N-Benzoyl-3-phenylisoserine
Similar compounds
(2R,3S)-N-Benzoyl-3-phenylisoserine methyl ester32981-85-465 % similar
2-Hydroxyhippuric acid16555-77-461 % similar
N-Benzoyl-DL-alanine1205-02-355 % similar
N-Benzoyl-L-alanine2198-64-355 % similar
(2R,3S)-3-Phenylisoserine136561-53-053 % similar
Benzoyl-L-phenylalanine2566-22-552 % similar
N-Benzoyl-DL-phenylalanine2901-76-052 % similar
(4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid158722-22-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds