ChemSpider 2D Image | 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (3E)-3-dodecenoate | C32H44O9

1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (3E)-3-dodecenoate

  • Molecular FormulaC32H44O9
  • Average mass572.686 Da
  • Monoisotopic mass572.298523 Da
  • ChemSpider ID24623491
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3E)-3-Dodécénoate de 1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicrasa-3,13(21)-dién-15-yle [French] [ACD/IUPAC Name]
1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (3E)-3-dodecenoate [ACD/IUPAC Name]
1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl-(3E)-3-dodecenoat [German] [ACD/IUPAC Name]
3-Dodecenoic acid, 11,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicrasa-3,13(21)-dien-15-yl ester, (3E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 744.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 236.1±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 903.29
ACD/KOC (pH 5.5): 4543.42
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 903.19
ACD/KOC (pH 7.4): 4542.88
Polar Surface Area: 140 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 444.7±5.0 cm3

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