ChemSpider 2D Image | (1R,6R)-2,3,4,5,6-Pentahydroxy-2,4-cyclohexadien-1-yl dihydrogen phosphate | C6H9O9P

(1R,6R)-2,3,4,5,6-Pentahydroxy-2,4-cyclohexadien-1-yl dihydrogen phosphate

  • Molecular FormulaC6H9O9P
  • Average mass256.104 Da
  • Monoisotopic mass255.998413 Da
  • ChemSpider ID61710901
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,6R)-2,3,4,5,6-Pentahydroxy-2,4-cyclohexadien-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(1R,6R)-2,3,4,5,6-Pentahydroxy-2,4-cyclohexadien-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
1,3-Cyclohexadiene-1,2,3,4,5,6-hexol, 5-(dihydrogen phosphate), (5R,6R)- [ACD/Index Name]
Dihydrogénophosphate de (1R,6R)-2,3,4,5,6-pentahydroxy-2,4-cyclohexadién-1-yle [French] [ACD/IUPAC Name]
D-myo-inositol-4-phosphate
I4D

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

Density: 2.3±0.1 g/cm3
Boiling Point: 523.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.7±6.0 kJ/mol
Flash Point: 270.4±32.9 °C
Index of Refraction: 1.756
Molar Refractivity: 45.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -5.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 175.7±5.0 dyne/cm
Molar Volume: 112.0±5.0 cm3

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