ChemSpider 2D Image | (1R,2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-1,2,3-cyclohexanetriyl tris[dihydrogen (phosphate)] | C6H15O15P3

(1R,2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-1,2,3-cyclohexanetriyl tris[dihydrogen (phosphate)]

  • Molecular FormulaC6H15O15P3
  • Average mass420.096 Da
  • Monoisotopic mass419.962372 Da
  • ChemSpider ID22900896

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-1,2,3-cyclohexanetriyl tris[dihydrogen (phosphate)] [ACD/IUPAC Name]
(1R,2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-1,2,3-cyclohexantriyltris[dihydrogen(phosphat)] [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,2,3-tris(dihydrogen phosphate), (1α,2β,3α,4α,5α,6β)- [ACD/Index Name]
Tris[dihydrogéno(phosphate)] de (1R,2R,3S,4R,5R,6R)-4,5,6-trihydroxy-1,2,3-cyclohexanetriyle [French] [ACD/IUPAC Name]
114488-20-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3349689/

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

Density: 2.3±0.1 g/cm3
Boiling Point: 839.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.7±6.0 kJ/mol
Flash Point: 461.3±37.1 °C
Index of Refraction: 1.636
Molar Refractivity: 66.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.94
ACD/LogD (pH 5.5): -10.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 290 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 153.0±5.0 dyne/cm
Molar Volume: 186.7±5.0 cm3

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