ChemSpider 2D Image | (2alpha,3alpha,7alpha,11beta,12xi)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl beta-L-glucopyranoside | C21H30O11

(2α,3α,7α,11β,12ξ)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl β-L-glucopyranoside

  • Molecular FormulaC21H30O11
  • Average mass458.456 Da
  • Monoisotopic mass458.178802 Da
  • ChemSpider ID107449086

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(2α,3α,7α,11β,12ξ)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl β-L-glucopyranoside [ACD/IUPAC Name]
(2α,3α,7α,11β,12ξ)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
Trichothec-9-en-8-one, 12,13-epoxy-3-(β-L-glucopyranosyloxy)-7,15-dihydroxy-, (2α,3α,5ξ,7α,11β,12ξ)- [ACD/Index Name]
β-L-Glucopyranoside de (2α,3α,7α,11β,12ξ)-7,15-dihydroxy-8-oxo-12,13-époxytrichothec-9-én-3-yle [French] [ACD/IUPAC Name]
131180-21-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 731.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 255.4±26.4 °C
Index of Refraction: 1.658
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.63
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 85.9±5.0 dyne/cm
Molar Volume: 284.7±5.0 cm3

Click to predict properties on the Chemicalize site


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