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305-58-8

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Basic Information
CAS No.: 305-58-8
Name: D-Glucose-1,6-diphosphate
Molecular Structure:
Molecular Structure of 305-58-8 (D-Glucose-1,6-diphosphate)
Formula: C6H14O12P2
Molecular Weight: 340.117
Synonyms: α-D-Glucose 1,6-diphosphate;
Density: 2.05 g/cm3
Boiling Point: 733.2 °C at 760 mmHg
Flash Point: 397.2 °C
PSA: 223.06000
LogP: -2.98740
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Specification

The α-D-Glucopyranose,1,6-bis(dihydrogen phosphate), with the CAS registry number 305-58-8, is also known as Glucose-1,6-bisphosphate. This chemical's molecular formula is C6H14O12P2 and molecular weight is 340.1157. What's more, its systematic name is 1,6-Di-O-Phosphono-α-D-glucopyranose .

Physical properties about α-D-Glucopyranose,1,6-bis(dihydrogen phosphate) are: (1)ACD/LogP: -0.89; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.52; (4)ACD/LogD (pH 7.4): -7; (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: 8; (12)Polar Surface Area: 146.06 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 57.12 cm3; (15)Molar Volume: 165.7 cm3; (16)Polarizability: 22.64×10-24cm3; (17)Surface Tension: 124 dyne/cm; (18)Density: 2.05 g/cm3; (19)Flash Point: 397.2 °C; (20)Enthalpy of Vaporization: 122.16 kJ/mol; (21)Boiling Point: 733.2 °C at 760 mmHg; (22)Vapour Pressure: 8.15E-25 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1OCopy
(2) InChI: InChI=1/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1 Copy
(3) InChIKey: RWHOZGRAXYWRNX-VFUOTHLCBH