ChemSpider 2D Image | 7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl hexopyranosiduronic acid | C21H28O12

7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl hexopyranosiduronic acid

  • Molecular FormulaC21H28O12
  • Average mass472.440 Da
  • Monoisotopic mass472.158081 Da
  • ChemSpider ID95638251

More details:

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

7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl hexopyranosiduronic acid [ACD/IUPAC Name]
7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-ylhexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide hexopyranosiduronique de 7,15-dihydroxy-8-oxo-12,13-époxytrichothec-9-én-3-yle [French] [ACD/IUPAC Name]
Trichothec-9-en-8-one, 12,13-epoxy-3-(hexopyranuronosyloxy)-7,15-dihydroxy- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 777.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 271.8±26.4 °C
Index of Refraction: 1.669
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.68
ACD/LogD (pH 5.5): -5.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 92.0±5.0 dyne/cm
Molar Volume: 281.5±5.0 cm3

Click to predict properties on the Chemicalize site


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