ChemSpider 2D Image | (2alpha,3beta,4alpha,5alpha,6beta,11beta,12R)-3,7,15-Trihydroxy-8-oxo-12,13-epoxytrichothec-9-en-4-yl acetate | C17H22O8

(2α,3β,4α,5α,6β,11β,12R)-3,7,15-Trihydroxy-8-oxo-12,13-epoxytrichothec-9-en-4-yl acetate

  • Molecular FormulaC17H22O8
  • Average mass354.352 Da
  • Monoisotopic mass354.131470 Da
  • ChemSpider ID28296299

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2α,3β,4α,5α,6β,11β,12R)-3,7,15-Trihydroxy-8-oxo-12,13-epoxytrichothec-9-en-4-yl acetate [ACD/IUPAC Name]
(2α,3β,4α,5α,6β,11β,12R)-3,7,15-Trihydroxy-8-oxo-12,13-epoxytrichothec-9-en-4-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2α,3β,4α,5α,6β,11β,12R)-3,7,15-trihydroxy-8-oxo-12,13-époxytrichothec-9-én-4-yle [French] [ACD/IUPAC Name]
Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3β,4α,5α,6β,11β,12α)- [ACD/Index Name]
Fusarenon X
Fusarenon Xmissing
FUSARENONX
Nivalenol monoacetate, 12,13-epoxy-3 α,4 β,7 β,15-tetrahydroxytrichothec-9-en-8-one 4-acetate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 569.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.1±6.0 kJ/mol
Flash Point: 208.4±23.6 °C
Index of Refraction: 1.616
Molar Refractivity: 82.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.13
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.13
Polar Surface Area: 126 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 235.4±5.0 cm3

Click to predict properties on the Chemicalize site


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