D-Fructose,1,6-bis(dihydrogen phosphate), trisodium salt, octahydrate (9CI) (81028-91-3)

 The D-Fructose-1,6-diphosphate trisodium salt octahydrate, with CAS registry number of 81028-91-3, is also known as sodium hydrogen 1,6-di-O-phosphonato-D-fructofuranose hydrate which is its systematic name. Its product belongs to the category of Substrates. It is a kind of white to beige crystalline powder, and should be stored  at 2-8 °C.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -4.13; (4)ACD/LogD (pH 7.4): -5.58; (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: 12; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 190.06Ų; (13)Flash Point: 390.8 °C; (14)Enthalpy of Vaporization: 120.55 kJ/mol; (15)Boiling Point: 722.6 °C at 760 mmHg; (16)Vapour Pressure: 4.13E-24 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [H+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OC[C@H]1OC(O)(COP([O-])([O-])=O)[C@@H](O)[C@@H]1O.O.O.O.O.O.O.O.O
(2)InChI: InChI=1/C6H14O12P2.3Na.8H2O/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15;;;;;;;;;;;/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15);;;;8*1H2/q;3*+1;;;;;;;;/p-3/t3-,4-,5+,6?;;;;;;;;;;;/m1.........../s1
(3)InChIKey: DBTJWGHAMYSWQR-IJUMUVRLBG