ChemSpider 2D Image | (8aR,12aR)-6-{2,5-Dioxo-4-[(1E)-1-penten-1-yl]-2,5-dihydro-3-furanyl}-5-propyl-4,5,6,8a,9,10,11,12,12a,15-decahydrofuro[3,4-d][1,10]benzodioxacyclododecine-1,3,7,14-tetrone | C28H32O10

(8aR,12aR)-6-{2,5-Dioxo-4-[(1E)-1-penten-1-yl]-2,5-dihydro-3-furanyl}-5-propyl-4,5,6,8a,9,10,11,12,12a,15-decahydrofuro[3,4-d][1,10]benzodioxacyclododecine-1,3,7,14-tetrone

  • Molecular FormulaC28H32O10
  • Average mass528.548 Da
  • Monoisotopic mass528.199524 Da
  • ChemSpider ID8729554

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(8aR,12aR)-6-{2,5-Dioxo-4-[(1E)-1-penten-1-yl]-2,5-dihydro-3-furanyl}-5-propyl-4,5,6,8a,9,10,11,12,12a,15-decahydrofuro[3,4-d][1,10]benzodioxacyclododecin-1,3,7,14-tetron [German] [ACD/IUPAC Name]
(8aR,12aR)-6-{2,5-Dioxo-4-[(1E)-1-penten-1-yl]-2,5-dihydro-3-furanyl}-5-propyl-4,5,6,8a,9,10,11,12,12a,15-decahydrofuro[3,4-d][1,10]benzodioxacyclododecine-1,3,7,14-tetrone [ACD/IUPAC Name]
(8aR,12aR)-6-{2,5-Dioxo-4-[(1E)-1-pentén-1-yl]-2,5-dihydro-3-furanyl}-5-propyl-4,5,6,8a,9,10,11,12,12a,15-décahydrofuro[3,4-d][1,10]benzodioxacyclododécine-1,3,7,14-tétrone [French] [ACD/IUPAC Name]
Furo[3,4-d][1,10]benzodioxacyclododecin-1,3,7,14-tetrone, 6-[2,5-dihydro-2,5-dioxo-4-[(1E)-1-penten-1-yl]-3-furanyl]-4,5,6,8a,9,10,11,12,12a,15-decahydro-5-propyl-, (8aR,12aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 787.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 330.3±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.28
ACD/KOC (pH 5.5): 1306.04
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.28
ACD/KOC (pH 7.4): 1306.04
Polar Surface Area: 139 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 398.5±5.0 cm3

Click to predict properties on the Chemicalize site


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