a-D-Glucopyranoside,1,3,4,6-tetra-O-sulfo-b-D-fructofuranosyl, 2,3,4,6-tetrakis(hydrogen sulfate), sodium salt (1:8) (74135-10-7)

The Sucrose octasulfate sodium salt, with the CAS registry number 74135-10-7, has the systematic name of octasodium 1,3,4,6-tetra-O-sulfonato-β-D-fructofuranosyl 2,3,4,6-tetra-O-sulfonato-α-D-glucopyranoside. It is a kind of white power, and belongs to the following product categories: Oligosaccharide Compounds; Oligosaccharides; Sulfur & Selenium Compounds. And the molecular formula of the chemical is C₁₂H₁₄Na₈O₃₅S₈.

The characteristics of this chemical are as followings: (1)ACD/LogP: -2.19; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -13; (4)ACD/LogD (pH 7.4): -13; (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: 35; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 603.53 Å².

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)O[C@H]1[C@H](O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)O[C@@]2(O[C@@H]([C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O )COS([O-])(=O)=O)COS([O-])(=O)=O
(2)InChI: InChI=1/C12H22O35S8.8Na/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;/q;8*+1/p-8/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;/m1......../s1
(3)InChIKey: CPRSOZZDECJZKH-CFSNDNGSBM