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5996-17-8

Basic Information
CAS No.: 5996-17-8
Name: D-GLUCOSE-6-PHOSPHATE DIPOTASSIUM SALT
Molecular Structure:
Molecular Structure of 5996-17-8 (D-GLUCOSE-6-PHOSPHATE DIPOTASSIUM SALT)
Formula: C6H11K2O9P
Molecular Weight: 336.318
Synonyms: D-Glucose,6-(dihydrogen phosphate), dipotassium salt (8CI,9CI);DipotassiumD-glucose-6-phosphate;Dipotassium glucose-6-phosphate;
EINECS: 227-837-6
Boiling Point: 667.8 °C at 760 mmHg
Flash Point: 357.7 °C
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-68
Safety: 36/37
PSA: 180.22000
LogP: -2.38540
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Specification

The D-Glucose,6-(dihydrogen phosphate), potassium salt (1:2), with CAS registry number 5996-17-8, belongs to the following product category: Dextrins、Sugar & Carbohydrates. It has the systematic name of dipotassium 6-O-phosphonato-D-glucose. This chemical should be stored at the temperature of −20°C. The main use of this chemical is for biochemical study.

Physical properties of D-Glucose,6-(dihydrogen phosphate), potassium salt (1:2): (1)ACD/LogP: -3.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.59; (4)ACD/LogD (pH 7.4): -7.52; (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: 9; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 130.56 Å2; (13)Flash Point: 357.7 °C; (14)Enthalpy of Vaporization: 112.35 kJ/mol; (15)Boiling Point: 667.8 °C at 760 mmHg; (16)Vapour Pressure: 1.1E-20 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The D-Glucose,6-(dihydrogen phosphate), potassium salt (1:2) is harmful by inhalation, in contact with skin and if swallowed. And this chemical has possible risk of irreversible effects. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [K+].[K+].[O-]P([O-])(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O
(2)InChI: InChI=1/C6H13O9P.2K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;/q;2*+1/p-2/t3-,4+,5+,6+;;/m0../s1
(3)InChIKey: BWHWCIODKVRLNE-JIJYNAILBP
(4)Std. InChI: InChI=1S/C6H13O9P.2K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;/q;2*+1/p-2/t3-,4+,5+,6+;;/m0../s1
(5)Std. InChIKey: BWHWCIODKVRLNE-FAOVPRGRSA-L