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3913-68-6

Basic Information
CAS No.: 3913-68-6
Name: H-(2S,4S)-GAMMA-HYDROXY-GLU-OH
Article Data: 10
Molecular Structure:
Molecular Structure of 3913-68-6 (H-(2S,4S)-GAMMA-HYDROXY-GLU-OH)
Formula: C5H9NO5
Molecular Weight: 163.13
Synonyms: Glutamicacid, 4-hydroxy-, L-threo- (8CI);L-Glutamic acid, 4-hydroxy-, threo-;(4S)-4-Hydroxyglutamic acid;Glutamic acid, 4-hydroxy-, Ls-threo-;L-allo-4-Hydroxyglutamic acid;L-allo-g-Hydroxyglutamate;threo-4-Hydroxy-L-glutamic acid;threo-g-Hydroxy-L-glutamic acid;
Density: 1.595 g/cm3
Boiling Point: 458.7 °C at 760 mmHg
Flash Point: 231.2 °C
PSA: 120.85000
LogP: -1.06580
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Specification

The L-Glutamic acid,4-hydroxy-, (4S)- is an organic compound with the formula . The IUPAC name of this chemical is (2S,4S)-2-amino-4-hydroxypentanedioic acid. With the CAS registry number 3913-68-6, it is also named as (2S,4S)-4-hydroxyglutamic acid.

Physical properties about L-Glutamic acid,4-hydroxy-, (4S)- are: (1)ACD/LogP: -1.36; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 65.07 Å2; (7)Index of Refraction: 1.565; (8)Molar Refractivity: 33.32 cm3; (9)Molar Volume: 102.2 cm3; (10)Polarizability: 13.21×10-24cm3; (11)Surface Tension: 90.2 dyne/cm; (12)Density: 1.595 g/cm3; (13)Flash Point: 231.2 °C; (14)Enthalpy of Vaporization: 82.93 kJ/mol; (15)Boiling Point: 458.7 °C at 760 mmHg; (16)Vapour Pressure: 2.43E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](O)C[C@H](N)C(=O)O
(2)InChI: InChI=1/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1
(3)InChIKey: HBDWQSHEVMSFGY-HRFVKAFMBN
(4)Std. InChI: InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1
(5)Std. InChIKey: HBDWQSHEVMSFGY-HRFVKAFMSA-N