ChemSpider 2D Image | (3alpha,7alpha)-3,7-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl (~2~H_3_)acetate | C17H19D3O7

(3α,7α)-3,7-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl (2H3)acetate

  • Molecular FormulaC17H19D3O7
  • Average mass341.371 Da
  • Monoisotopic mass341.155396 Da
  • ChemSpider ID107449190

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Acétate de (3α,7α)-3,7-dihydroxy-8-oxo-12,13-époxytrichothec-9-én-15-yle [French] [ACD/IUPAC Name]
(3α,7α)-3,7-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl (2H3)acetate [ACD/IUPAC Name]
(3α,7α)-3,7-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl-(2H3)acetat [German] [ACD/IUPAC Name]
Acetic-d3 acid, (3α,7α)-12,13-epoxy-3,7-dihydroxy-8-oxotrichothec-9-en-15-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 538.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 197.4±23.6 °C
Index of Refraction: 1.595
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.32
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.32
Polar Surface Area: 106 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 237.5±5.0 cm3

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