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Search term: FRKZQPJMWAPFKK-PUPXPOCBSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (3alpha,4beta,12xi)-3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylacrylate) | C23H30O7

(3α,4β,12ξ)-3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylacrylate)

  • Molecular FormulaC23H30O7
  • Average mass418.480 Da
  • Monoisotopic mass418.199158 Da
  • ChemSpider ID23226573
  • 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-12,13-epoxytrichothec-9-en-4,15-diyl-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
(3α,4β,12ξ)-3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylacrylate) [ACD/IUPAC Name]
(3α,4β,12ξ)-3-hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)
2-Propenoic acid, 2-methyl-, (2ξ,3α,4β,12ξ)-12,13-epoxy-3-hydroxytrichothec-9-ene-4,15-diyl ester [ACD/Index Name]
Bis(2-méthylacrylate) de (3α,4β,12ξ)-3-hydroxy-12,13-époxytrichothec-9-ène-4,15-diyle [French] [ACD/IUPAC Name]
4β,15-(Bis(methacryloxyscirpen-3α-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 533.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 178.6±23.6 °C
Index of Refraction: 1.560
Molar Refractivity: 107.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.01
ACD/KOC (pH 5.5): 980.32
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.01
ACD/KOC (pH 7.4): 980.32
Polar Surface Area: 95 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 333.4±5.0 cm3

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