ChemSpider 2D Image | 1,6-Di-O-phosphono-D-glucitol | C6H16O12P2

1,6-Di-O-phosphono-D-glucitol

  • Molecular FormulaC6H16O12P2
  • Average mass342.132 Da
  • Monoisotopic mass342.011688 Da
  • ChemSpider ID23314343

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,6-Di-O-phosphono-D-glucitol [ACD/IUPAC Name]
1,6-Di-O-phosphono-D-glucitol [German] [ACD/IUPAC Name]
1,6-Di-O-phosphono-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,6-bis(dihydrogen phosphate) [ACD/Index Name]
glucitol bis-phosphate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL404748/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point: 801.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.7±6.0 kJ/mol
Flash Point: 438.4±37.1 °C
Index of Refraction: 1.613
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -4.69
ACD/LogD (pH 5.5): -9.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 133.0±3.0 dyne/cm
Molar Volume: 170.1±3.0 cm3

Click to predict properties on the Chemicalize site


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