ChemSpider 2D Image | (3alpha,4beta,8alpha,12xi)-3,8-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate | C19H26O8

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

  • Molecular FormulaC19H26O8
  • Average mass382.405 Da
  • Monoisotopic mass382.162781 Da
  • ChemSpider ID23550457

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3α,4β,8α,12ξ)-3,8-Dihydroxy-12,13-epoxytrichothec-9-en-4,15-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,4β,8α,12ξ)-3,8-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3α,4β,8α,12ξ)-3,8-dihydroxy-12,13-époxytrichothec-9-ène-4,15-diyle [French] [ACD/IUPAC Name]
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3α,4β,8α,12ξ)- [ACD/Index Name]
36519-25-2 [RN]
Neosolaniol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 515.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 180.2±23.6 °C
Index of Refraction: 1.578
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 39.69
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 39.69
Polar Surface Area: 115 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 276.5±5.0 cm3

Click to predict properties on the Chemicalize site


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