The Sodium glutaraldehyde bisulfite, with the CAS registry number 28959-35-5 and EINECS registry number 249-339-8, has the systematic name and IUPAC name of disodium 1,5-dihydroxypentane-1,5-disulfonate. It belongs to the following product categories: Organic Building Blocks; Organic Sulfates/Sulfites; Sulfur Compounds. And the molecular formula of the chemical is C5H10Na2O8S2. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of Sodium glutaraldehyde bisulfite are as followings: (1)ACD/LogP: -4.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -9.4; (4)ACD/LogD (pH 7.4): -9.4; (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: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 143.96 Å2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[Na+].[O-]S(=O)(=O)C(O)CCCC(O)S([O-])(=O)=O
(2)InChI: InChI=1/C5H12O8S2.2Na/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13;;/h4-7H,1-3H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2
(3)InChIKey: YGZZDQOCTFVBFC-NUQVWONBAF
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