ChemSpider 2D Image | (2R,4S)-3-Hydroxy-1,2,4-cyclohexanetriyl tris[dihydrogen (phosphate)] | C6H15O13P3

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

  • Molecular FormulaC6H15O13P3
  • Average mass388.097 Da
  • Monoisotopic mass387.972534 Da
  • ChemSpider ID25036091

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,4S)-3-Hydroxy-1,2,4-cyclohexanetriyl tris[dihydrogen (phosphate)] [ACD/IUPAC Name]
(2R,4S)-3-Hydroxy-1,2,4-cyclohexantriyltris[dihydrogen(phosphat)] [German] [ACD/IUPAC Name]
1,2,3,4-Cyclohexanetetrol, 1,2,4-tris(dihydrogen phosphate), (2R,4S)- [ACD/Index Name]
Tris[dihydrogéno(phosphate)] de (2R,4S)-3-hydroxy-1,2,4-cyclohexanetriyle [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: 790.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 431.9±35.7 °C
Index of Refraction: 1.584
Molar Refractivity: 63.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.19
ACD/LogD (pH 5.5): -10.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 116.5±5.0 dyne/cm
Molar Volume: 190.8±5.0 cm3

Click to predict properties on the Chemicalize site


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