ChemSpider 2D Image | dihydroxycyclohexenyl-CoA | C27H44N7O18P3S

dihydroxycyclohexenyl-CoA

  • Molecular FormulaC27H44N7O18P3S
  • Average mass879.661 Da
  • Monoisotopic mass879.167664 Da
  • ChemSpider ID25936991
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

dihydroxycyclohexenyl-CoA

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 184.5±0.5 cm3
#H bond acceptors: 25
#H bond donors: 12
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -3.33
ACD/LogD (pH 5.5): -10.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 442 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 100.6±7.0 dyne/cm
Molar Volume: 458.9±7.0 cm3

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