ChemSpider 2D Image | (2beta,3beta,6beta,14S)-2,3-Epoxygrayanotoxane-5,6,10,14,16-pentol | C20H32O6

(2β,3β,6β,14S)-2,3-Epoxygrayanotoxane-5,6,10,14,16-pentol

  • Molecular FormulaC20H32O6
  • Average mass368.465 Da
  • Monoisotopic mass368.219879 Da
  • ChemSpider ID24716993

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2β,3β,6β,14S)-2,3-Epoxygrayanotoxan-5,6,10,14,16-pentol [German] [ACD/IUPAC Name]
(2β,3β,6β,14S)-2,3-Epoxygrayanotoxane-5,6,10,14,16-pentol [ACD/IUPAC Name]
(2β,3β,6β,14S)-2,3-Époxygrayanotoxane-5,6,10,14,16-pentol [French] [ACD/IUPAC Name]
Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, (2β,3β,6β,14S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517302/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 557.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 290.9±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.39
ACD/KOC (pH 5.5): 64.87
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.39
ACD/KOC (pH 7.4): 64.87
Polar Surface Area: 114 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 262.8±5.0 cm3

Click to predict properties on the Chemicalize site


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