ChemSpider 2D Image | (3beta,5alpha,6alpha,9beta,16beta,17beta)-Cevane-3,6,12,14,16,20-hexol | C27H45NO6

(3β,5α,6α,9β,16β,17β)-Cevane-3,6,12,14,16,20-hexol

  • Molecular FormulaC27H45NO6
  • Average mass479.649 Da
  • Monoisotopic mass479.324677 Da
  • ChemSpider ID113619350

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,5α,6α,9β,16β,17β)-Cevan-3,6,12,14,16,20-hexol [German] [ACD/IUPAC Name]
(3β,5α,6α,9β,16β,17β)-Cevane-3,6,12,14,16,20-hexol [ACD/IUPAC Name]
(3β,5α,6α,9β,16β,17β)-Cévane-3,6,12,14,16,20-hexol [French] [ACD/IUPAC Name]
Cevane-3,6,12,14,16,20-hexol, (3β,5α,6α,9β,16β,17β)- [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: 652.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±6.0 kJ/mol
Flash Point: 343.9±30.2 °C
Index of Refraction: 1.637
Molar Refractivity: 127.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.68
Polar Surface Area: 125 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 355.9±5.0 cm3

Click to predict properties on the Chemicalize site


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