ChemSpider 2D Image | (2beta,3beta,6beta,7alpha)-5,7,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-6-yl acetate | C22H34O7

(2β,3β,6β,7α)-5,7,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-6-yl acetate

  • Molecular FormulaC22H34O7
  • Average mass410.501 Da
  • Monoisotopic mass410.230438 Da
  • ChemSpider ID24691743

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2β,3β,6β,7α)-5,7,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-6-yl acetate [ACD/IUPAC Name]
(2β,3β,6β,7α)-5,7,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2β,3β,6β,7α)-5,7,10,16-tétrahydroxy-2,3-époxygrayanotoxan-6-yle [French] [ACD/IUPAC Name]
Grayanotoxane-5,6,7,10,16-pentol, 2,3-epoxy-, 6-acetate, (2β,3β,6β,7α)- [ACD/Index Name]
31136-61-5 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463954/
Lyoniol-A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 561.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 191.4±23.6 °C
Index of Refraction: 1.603
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.85
ACD/KOC (pH 5.5): 123.28
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.85
ACD/KOC (pH 7.4): 123.28
Polar Surface Area: 120 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 300.7±5.0 cm3

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