ChemSpider 2D Image | 2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen phosphate (non-preferred name) | C12H23O14P

2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen phosphate (non-preferred name)

  • Molecular FormulaC12H23O14P
  • Average mass422.276 Da
  • Monoisotopic mass422.082550 Da
  • ChemSpider ID95637847

More details:

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

2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen phosphate (non-preferred name) [ACD/IUPAC Name]
2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
6-Undeculopyranose, 2,5-anhydro-5-C-(hydroxymethyl)-, 6-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénophosphate de 2-[3,4-dihydroxy-2,5-bis(hydroxyméthyl)tétrahydro-2-furanyl]-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 854.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.1±6.0 kJ/mol
Flash Point: 470.4±37.1 °C
Index of Refraction: 1.683
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -5.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 257 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 140.4±5.0 dyne/cm
Molar Volume: 212.8±5.0 cm3

Click to predict properties on the Chemicalize site


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