ChemSpider 2D Image | 2,3,5-Trihydroxy-6-(thiophosphonooxy)-1,4-cyclohexanediyl bis[dihydrogen (phosphate)] | C6H15O14P3S

2,3,5-Trihydroxy-6-(thiophosphonooxy)-1,4-cyclohexanediyl bis[dihydrogen (phosphate)]

  • Molecular FormulaC6H15O14P3S
  • Average mass436.161 Da
  • Monoisotopic mass435.939545 Da
  • ChemSpider ID25031001

More details:

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

2,3,5-Trihydroxy-6-(thiophosphonooxy)-1,4-cyclohexandiylbis[dihydrogen(phosphat)] [German] [ACD/IUPAC Name]
2,3,5-Trihydroxy-6-(thiophosphonooxy)-1,4-cyclohexanediyl bis[dihydrogen (phosphate)] [ACD/IUPAC Name]
Bis[dihydrogéno(phosphate)] de 2,3,5-trihydroxy-6-(thiophosphonooxy)-1,4-cyclohexanediyle [French] [ACD/IUPAC Name]
Phosphorothioic acid, O-[2,4,5-trihydroxy-3,6-bis(phosphonooxy)cyclohexyl] ester [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 862.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.5±6.0 kJ/mol
Flash Point: 475.6±37.1 °C
Index of Refraction: 1.683
Molar Refractivity: 73.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.84
ACD/LogD (pH 5.5): -9.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 305 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 164.8±5.0 dyne/cm
Molar Volume: 194.8±5.0 cm3

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