ChemSpider 2D Image | (3beta,6beta,7alpha,14R)-Grayanotoxane-3,5,6,7,10,14,16-heptol | C20H34O7

(3β,6β,7α,14R)-Grayanotoxane-3,5,6,7,10,14,16-heptol

  • Molecular FormulaC20H34O7
  • Average mass386.480 Da
  • Monoisotopic mass386.230438 Da
  • ChemSpider ID23326875

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,6β,7α,14R)-Grayanotoxan-3,5,6,7,10,14,16-heptol [German] [ACD/IUPAC Name]
(3β,6β,7α,14R)-Grayanotoxane-3,5,6,7,10,14,16-heptol [ACD/IUPAC Name]
(3β,6β,7α,14R)-Grayanotoxane-3,5,6,7,10,14,16-heptol [French] [ACD/IUPAC Name]
Grayanotoxane-3,5,6,7,10,14,16-heptol, (3β,6β,7α,14R)- [ACD/Index Name]
56663-60-6 [RN]
Asebotoxin V, bisdeacyl-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL454312/
kalmitoxin-I

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

Density: 1.4±0.1 g/cm3
Boiling Point: 573.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 259.8±24.7 °C
Index of Refraction: 1.638
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.15
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.15
Polar Surface Area: 142 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 270.2±5.0 cm3

Click to predict properties on the Chemicalize site


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