ChemSpider 2D Image | (3alpha,4beta,12xi)-3-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate | C19H24O8

(3α,4β,12ξ)-3-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate

  • Molecular FormulaC19H24O8
  • Average mass380.389 Da
  • Monoisotopic mass380.147125 Da
  • ChemSpider ID35014362

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3α,4β,12ξ)-3-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-4,15-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,4β,12ξ)-3-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate [ACD/IUPAC Name]
77620-47-4 [RN]
Diacétate de (3α,4β,12ξ)-3-hydroxy-8-oxo-12,13-époxytrichothec-9-ène-4,15-diyle [French] [ACD/IUPAC Name]
Trichothec-9-en-8-one, 4,15-bis(acetyloxy)-12,13-epoxy-3-hydroxy-, (3α,4β,5ξ,12ξ)- [ACD/Index Name]
(2'R,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-10'-hydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0�,7]dodecan]-5'-en-2'-ylmethyl acetate
(2'R,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-10'-hydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-2'-ylmethyl acetate
(3α,4β)-4,15-bis(Acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-one
4,15-Diacetyl-7-deoxynivalenol
8-Oxodiacetoxyscirpenol

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 519.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.2±6.0 kJ/mol
Flash Point: 182.8±23.6 °C
Index of Refraction: 1.570
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 39.28
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 39.28
Polar Surface Area: 112 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 275.4±5.0 cm3

Click to predict properties on the Chemicalize site


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