ChemSpider 2D Image | (3beta,5alpha,9beta,12beta)-3,7,14,16,20-Pentahydroxycevan-6-one | C27H43NO6

(3β,5α,9β,12β)-3,7,14,16,20-Pentahydroxycevan-6-one

  • Molecular FormulaC27H43NO6
  • Average mass477.633 Da
  • Monoisotopic mass477.309052 Da
  • ChemSpider ID113619351
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(3β,5α,9β,12β)-3,7,14,16,20-Pentahydroxycevan-6-on [German] [ACD/IUPAC Name]
(3β,5α,9β,12β)-3,7,14,16,20-Pentahydroxycevan-6-one [ACD/IUPAC Name]
(3β,5α,9β,12β)-3,7,14,16,20-Pentahydroxycévan-6-one [French] [ACD/IUPAC Name]
Cevan-6-one, 3,7,14,16,20-pentahydroxy-, (3β,5α,9β,12β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 668.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 357.9±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.73
Polar Surface Area: 121 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 355.7±5.0 cm3

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