ChemSpider 2D Image | (3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl dihydrogen phosphate | C6H13O9P

(3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl dihydrogen phosphate

  • Molecular FormulaC6H13O9P
  • Average mass260.136 Da
  • Monoisotopic mass260.029724 Da
  • ChemSpider ID21467611

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl dihydrogen phosphate [ACD/IUPAC Name]
(3R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyldihydrogenphosphat [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1-(dihydrogen phosphate), (3R,5S,6S)- [ACD/Index Name]
Dihydrogénophosphate de (3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyle [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: 517.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 266.7±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 46.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -6.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 137.1±5.0 dyne/cm
Molar Volume: 128.4±5.0 cm3

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