Found 3 results

Search term: QUNBFIXEWKNFLB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4beta,11xi,12xi)-3,8-Dioxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylacrylate) | C23H26O8

(4β,11ξ,12ξ)-3,8-Dioxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylacrylate)

  • Molecular FormulaC23H26O8
  • Average mass430.448 Da
  • Monoisotopic mass430.162781 Da
  • ChemSpider ID23226246

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(4β,11ξ,12ξ)-3,8-Dioxo-12,13-epoxytrichothec-9-en-4,15-diyl-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
(4β,11ξ,12ξ)-3,8-Dioxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylacrylate) [ACD/IUPAC Name]
(4β,11ξ,12ξ)-3,8-dioxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)
2-Propenoic acid, 2-methyl-, (2ξ,4β,11ξ,12ξ)-12,13-epoxy-3,8-dioxotrichothec-9-ene-4,15-diyl ester [ACD/Index Name]
Bis(2-méthylacrylate) de (4β,11ξ,12ξ)-3,8-dioxo-12,13-époxytrichothec-9-ène-4,15-diyle [French] [ACD/IUPAC Name]
bAnguidin analogue

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 244.7±30.2 °C
Index of Refraction: 1.560
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.72
ACD/KOC (pH 5.5): 283.30
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.72
ACD/KOC (pH 7.4): 283.30
Polar Surface Area: 109 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 329.2±5.0 cm3

Click to predict properties on the Chemicalize site


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