ChemSpider 2D Image | 3-d3-AcDON | C17H19D3O7

3-d3-AcDON

  • Molecular FormulaC17H19D3O7
  • Average mass341.371 Da
  • Monoisotopic mass341.155396 Da
  • ChemSpider ID17340092

  • 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 (3β,7α)-7,15-dihydroxy-8-oxo-12,13-époxytrichothec-9-én-3-yle [French] [ACD/IUPAC Name]
(3β,7α)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl (2H3)acetate [ACD/IUPAC Name]
(3β,7α)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl-(2H3)acetat [German] [ACD/IUPAC Name]
15-Acetylvomitoxin
200-835-2 [EINECS]
3-d3-AcDON
3-d3-Acetyldeoxynivalenol
876926-22-6 [RN]
Acetic-d3 acid, (2α,3α,6β,7β,11β,12α)-12,13-epoxy-7,15-dihydroxy-8-oxotrichothec-9-en-3-yl ester [ACD/Index Name]
MFCD08702641
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

34129_RIEDEL [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 518.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.1±6.0 kJ/mol
Flash Point: 189.3±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: -0.76
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.85
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.84
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

Click to predict properties on the Chemicalize site


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