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533-62-0

Basic Information
CAS No.: 533-62-0
Name: 3-hydroxyglutamic acid
Article Data: 9
Molecular Structure:
Molecular Structure of 533-62-0 (3-hydroxyglutamic acid)
Formula: C5H9NO5
Molecular Weight: 163.13
Synonyms: Hydroxyglutamic acid;2-Amino-3-hydroxypentanedioic acid (non-preferred name);
EINECS: 208-572-5
Density: 1.595 g/cm3
Melting Point: 283 °C
Boiling Point: 440.3 °C at 760 mmHg
Flash Point: 220.1 °C
PSA: 120.85000
LogP: -1.06580
Downstream Products
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Specification

The 3-Hydroxyglutamic acid, with the CAS registry number 533-62-0 and EINECS registry number 208-572-5, is also known as 2-Amino-3-hydroxypentanedioic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C5H9NO5.

The physical properties of 3-Hydroxyglutamic acid are as followings: (1)ACD/LogP: -2.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.65; (4)ACD/LogD (pH 7.4): -5.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 33.32 cm3; (15)Molar Volume: 102.2 cm3; (16)Polarizability: 13.21×10-24cm3; (17)Surface Tension: 90.2 dyne/cm; (18)Density: 1.595 g/cm3; (19)Flash Point: 220.1 °C; (20)Enthalpy of Vaporization: 80.5 kJ/mol; (21)Boiling Point: 440.3 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-09 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)C(O)CC(=O)O
(2)InChI: InChI=1/C5H9NO5/c6-4(5(10)11)2(7)1-3(8)9/h2,4,7H,1,6H2,(H,8,9)(H,10,11)
(3)InChIKey: InChI=1/C5H9NO5/c6-4(5(10)11)2(7)1-3(8)9/h2,4,7H,1,6H2,(H,8,9)(H,10,11)