ChemSpider 2D Image | d1-DON | C15H19DO6

d1-DON

  • Molecular FormulaC15H19DO6
  • Average mass297.322 Da
  • Monoisotopic mass297.132263 Da
  • ChemSpider ID17340104

  • 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

(3β,7α,15S)-3,7,15-Trihydroxy(15-2H1)-12,13-epoxytrichothec-9-en-8-on [German] [ACD/IUPAC Name]
(3β,7α,15S)-3,7,15-Trihydroxy(15-2H1)-12,13-epoxytrichothec-9-en-8-one [ACD/IUPAC Name]
(3β,7α,15S)-3,7,15-Trihydroxy(15-2H1)-12,13-époxytrichothec-9-én-8-one [French] [ACD/IUPAC Name]
200-835-2 [EINECS]
919488-17-8 [RN]
d1-DON
MFCD08702649
Trichothec-9-en-8-one-15-d, 12,13-epoxy-3,7,15-trihydroxy-, (2α,3α,6β,7β,11β,12α,15S)- [ACD/Index Name]
Deoxynivalenol-d1
Deoxynivalenol-d1missing
More...

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

34155_RIEDEL [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 543.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 206.9±23.6 °C
Index of Refraction: 1.632
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.41
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.90
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.90
Polar Surface Area: 100 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 199.4±5.0 cm3

Click to predict properties on the Chemicalize site


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