ChemSpider 2D Image | (3beta,6beta,13beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol | C20H34O6

(3β,6β,13β,14R)-Grayanotoxane-3,5,6,10,14,16-hexol

  • Molecular FormulaC20H34O6
  • Average mass370.480 Da
  • Monoisotopic mass370.235535 Da
  • ChemSpider ID26402407
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3β,6β,13β,14R)-Grayanotoxan-3,5,6,10,14,16-hexol [German] [ACD/IUPAC Name]
(3β,6β,13β,14R)-Grayanotoxane-3,5,6,10,14,16-hexol [ACD/IUPAC Name]
(3β,6β,13β,14R)-Grayanotoxane-3,5,6,10,14,16-hexol [French] [ACD/IUPAC Name]
Grayanotoxane-3,5,6,10,14,16-hexol, (3β,6β,13β,14R)- [ACD/Index Name]
[4678-45-9] [RN]
4678-45-9 [RN]
grayanotoxin III
Grayanotoxin III Hemi (ethyl acetate) adduct
Grayanotoxin III Hemi(ethyl acetate) adduct
MFCD00285883

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 552.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 250.9±24.7 °C
Index of Refraction: 1.620
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.11
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 40.22
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 40.22
Polar Surface Area: 121 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 272.3±5.0 cm3

Click to predict properties on the Chemicalize site






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