ChemSpider 2D Image | (5xi)-6-O-Phosphono-D-xylo-hexose | C6H13O9P

(5ξ)-6-O-Phosphono-D-xylo-hexose

  • Molecular FormulaC6H13O9P
  • Average mass260.136 Da
  • Monoisotopic mass260.029724 Da
  • ChemSpider ID24534258
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(5ξ)-6-O-Phosphono-D-xylo-hexose [ACD/IUPAC Name]
(5ξ)-6-O-Phosphono-D-xylo-hexose [German] [ACD/IUPAC Name]
(5ξ)-6-O-Phosphono-D-xylo-hexose [French] [ACD/IUPAC Name]
D-xylo-Hexose, 6-(dihydrogen phosphate), (5ξ)- [ACD/Index Name]
glucose-6-phosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 667.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±6.0 kJ/mol
Flash Point: 357.7±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 47.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -3.24
ACD/LogD (pH 5.5): -6.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 111.7±3.0 dyne/cm
Molar Volume: 141.9±3.0 cm3

Click to predict properties on the Chemicalize site






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