ChemSpider 2D Image | [(3S,4R,5S)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate | C6H13O10P

[(3S,4R,5S)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate

  • Molecular FormulaC6H13O10P
  • Average mass276.135 Da
  • Monoisotopic mass276.024628 Da
  • ChemSpider ID35033973
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3S,4R,5S)-3,4,5,6,6-Pentahydroxy-2-oxohexyl dihydrogen phosphate (non-preferred name) [ACD/IUPAC Name]
(3S,4R,5S)-3,4,5,6,6-Pentahydroxy-2-oxohexyldihydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
[(3S,4R,5S)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate
Dihydrogénophosphate de (3S,4R,5S)-3,4,5,6,6-pentahydroxy-2-oxohexyle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 770.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.8±6.0 kJ/mol
Flash Point: 419.5±35.7 °C
Index of Refraction: 1.623
Molar Refractivity: 49.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.60
ACD/LogD (pH 5.5): -7.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 134.6±3.0 dyne/cm
Molar Volume: 139.3±3.0 cm3

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