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Benzenebutanoic acid, b-amino-a-hydroxy-, (aS,bR)- (59554-14-2)

Identification
Name:Benzenebutanoic acid, b-amino-a-hydroxy-, (aS,bR)-
Synonyms:Benzenebutanoicacid, b-amino-a-hydroxy-, [S-(R*,S*)]-;(2S,3R)-3-Amino-2-hydroxy-4-phenylbutanoic acid;(2S,3R)-3-Amino-2-hydroxy-4-phenylbutyricacid;
CAS:59554-14-2
Molecular Formula: C10H13NO3
Molecular Weight: 195.21512
InChI: InChI=1/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1
Molecular Structure: (C10H13NO3) Benzenebutanoicacid, b-amino-a-hydroxy-, [S-(R*,S*)]-;(2S,3R)-3-Amino-2-hydroxy-4-phenylbutanoic aci...
Properties
Density:1.285 g/cm3
Refractive index:1.595
Specification:

The cas register number of (2S,3R)-3-Amino-2-hydroxy-4-phenylbutyric acid is 59554-14-2. It also can be called as Benzenebutanoic acid, b-amino-a-hydroxy-, (aS,bR)- and the Systematic name about this chemical is 3-amino-2-hydroxy-4-phenylbutanoic acid.

Physical properties about (2S,3R)-3-Amino-2-hydroxy-4-phenylbutyric acid are: (1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): -1.14; (3)ACD/LogD (pH 7.4): -1.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 38.77Å2; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 51.61 cm3; (14)Molar Volume: 151.8 cm3; (15)Polarizability: 20.46x10-24cm3; (16)Surface Tension: 61.8 dyne/cm; (17)Enthalpy of Vaporization: 72.07 kJ/mol; (18)Vapour Pressure: 4.17E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)C(N)Cc1ccccc1
(2)InChI: InChI=1/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)
(3)InChIKey: LDSJMFGYNFIFRK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)
(5)Std. InChIKey: LDSJMFGYNFIFRK-UHFFFAOYSA-N

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