Name: GLUTATHIONESULFONIC ACID
SKU: 3773-07-7

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Basic Information

Molecular Structure:
CAS No.:	3773-07-7
Name:	GLUTATHIONESULFONIC ACID
Article Data:	4

Formula:	C₁₀H₁₇N₃O₉S
Molecular Weight:	355.326
Synonyms:	Glutamine,N-[1-[(carboxymethyl)carbamoyl]-2-sulfoethyl]- (6CI,7CI);Glutamine,N-[1-[(carboxymethyl)carbamoyl]-2-sulfoethyl]-, L- (8CI);Glycine, N-(N-L-γ-glutamyl-3-sulfo-L-alanyl)-;Glutathione sulfonate;N-(N-L-γ-Glutamyl-3-sulfo-L-alanyl)glycine;L-γ-Glutamyl-3-sulfo-L-alanylglycine;
Density:	1.632 g/cm³
Melting Point:	190℃
PSA:	228.55000
LogP:	0.21360

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Specification

The Glutathionesulfonic acid, with the CAS registry number 3773-07-7, is also known as N-(N-L-γ-Glutamyl-3-sulfo-L-alanyl)glycine. It belongs to the product categories of Dipeptides and Tripeptides; Glutathione and Derivatives; Peptides. This chemical's molecular formula is C₁₀H₁₇N₃O₉S and molecular weight is 355.32. What's more, its systematic name is L-γ-Glutamyl-3-sulfo-L-alanylglycine. Its storage temperature is 2-8°C.

Physical properties of Glutathionesulfonic acid are: (1)ACD/LogP: -3.245; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -7.72; (4)ACD/LogD (pH 7.4): -7.75; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 12; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 221.57 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 73.119 cm³; (15)Molar Volume: 217.695 cm³; (16)Polarizability: 28.987×10^-24cm³; (17)Surface Tension: 86.22 dyne/cm; (18)Density: 1.632 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)NCC(=O)O)CS(=O)(=O)O)CC[C@@H](C(=O)O)N
(2)Std. InChI: InChI=1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1
(3)Std. InChIKey: QGWRMTHFAZVWAM-WDSKDSINSA-N