ChemSpider 2D Image | 2,5-Anhydro-2-(hydroxymethyl)-1,6-di-O-phosphono-D-glucitol | C7H16O12P2

2,5-Anhydro-2-(hydroxymethyl)-1,6-di-O-phosphono-D-glucitol

  • Molecular FormulaC7H16O12P2
  • Average mass354.142 Da
  • Monoisotopic mass354.011688 Da
  • ChemSpider ID21106440
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2,5-Anhydro-2-(hydroxymethyl)-1,6-di-O-phosphono-D-glucitol [ACD/IUPAC Name]
2,5-Anhydro-2-(hydroxymethyl)-1,6-di-O-phosphono-D-glucitol [German] [ACD/IUPAC Name]
2,5-Anhydro-2-(hydroxyméthyl)-1,6-di-O-phosphono-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 2,5-anhydro-2-C-(hydroxymethyl)-, 1,6-bis(dihydrogen phosphate) [ACD/Index Name]
frutose 2,6-bisfosfato [Portuguese]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 747.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.4±6.0 kJ/mol
Flash Point: 406.0±35.7 °C
Index of Refraction: 1.591
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -6.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 115.4±3.0 dyne/cm
Molar Volume: 183.9±3.0 cm3

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