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| CAS No.: | 533-62-0 |
|---|---|
| Name: | 3-hydroxyglutamic acid |
| Molecular Structure: | |
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| 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 |
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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)