D-gluco-Heptonic acid, sodium salt (1:1), (2xi)- (31138-65-5)

The Sodium glucoheptonate, with CAS registry number 31138-65-5, belongs to the following product categories: (1)Basic Sugars (Mono & Oligosaccharides); (2)Glucose; (3)Aminosugars; (4)Thioglycosides; (5)Fmoc-Amino Acids; (6)Amino Acids; (7)Amino Acids (N-Protected); (8)Biochemistry; (9)Galactose; (10)O-Substituted Sugars; (11)Sugars; (12)Cyclodextrins; (13)Functional Materials; (14)Macrocycles for Host-Guest Chemistry; (15)Oligosaccharides; (16)Glycosides; (17)Sugar Acids; (18)Disaccharides; (19)N-Substituted Maleimides, Succinimides & Phthalimides; (20)N-Substituted Phthalimides. It has the systematic name of sodium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate (non-preferred name). And this chemical should be stored at the temperature of −20°C. When use this chemical, please avoid contact with skin and eyes.

Physical properties of Sodium glucoheptonate: (1)ACD/LogP: -4.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.79; (4)ACD/LogD (pH 7.4): -7.77; (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: 7; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 92.68 Å²; (13)Enthalpy of Vaporization: 121.34 kJ/mol; (14)Vapour Pressure: 1.87E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1(3)InChIKey: FMYOMWCQJXWGEN-KXDNYHJRBW
(4)Std. InChI: InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1
(5)Std. InChIKey: FMYOMWCQJXWGEN-WYRLRVFGSA-M