CAS No.53861-57-7,H-GLA-OH Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	53861-57-7
Name:	H-GLA-OH
Article Data:	8

Formula:	C₆H₉NO₆
Molecular Weight:	191.141
Synonyms:	1,1,3-Propanetricarboxylicacid, 3-amino-, (S)-;(S)-g-Carboxyglutamic acid;4-Carboxyglutamic acid;L-g-Carboxyglutamic acid;g-Carboxy-L-glutamic acid;g-Carboxyglutamic acid;
EINECS:	258-825-9
Density:	1.649 g/cm³
Melting Point:	167-167.5° (dec)
Boiling Point:	418 °C at 760 mmHg
Flash Point:	206.6 °C
PSA:	137.92000
LogP:	-0.72590

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Specification

The 1,1,3-Propanetricarboxylicacid, 3-amino-, (3S)- is an organic compound with the formula C₆H₉NO₆. The IUPAC name of this chemical is (3S)-3-Aminopropane-1,1,3-tricarboxylic acid. With the CAS registry number 53861-57-7, it is also named as (S)-3-Aminopropane-1,1,3-tricarboxylic acid. The categories of the product are A - H; Amino Acids; Modified Amino Acids. Besides, it should be stored at −20 °C.

The physical properties of 1,1,3-Propanetricarboxylicacid, 3-amino-, (3S)- are: (1)ACD/LogP: -1.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.49; (4)ACD/LogD (pH 7.4): -6.08; (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: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 82.14 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 37.99 cm³; (15)Molar Volume: 115.8 cm³; (16)Polarizability: 15.06×10^-24 cm³; (17)Surface Tension: 93.1 dyne/cm; (18)Density: 1.649 g/cm³; (19)Flash Point: 206.6 °C; (20)Enthalpy of Vaporization: 73.65 kJ/mol; (21)Boiling Point: 418 °C at 760 mmHg; (22)Vapour Pressure: 3.71E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C(=O)O)C[C@H](N)C(=O)O
(2)Std. InChI: InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
(3)Std. InChIKey: UHBYWPGGCSDKFX-VKHMYHEASA-N