ChemSpider 2D Image | (3R,4aR,6aR,7S,8aR,11R,12aR,12bS,15S,16aR)-7,15-Dimethoxy-3,11-diphenyloctahydro[1,3]dioxino[5,4-h][1,3]dioxino[4',5':5,6]pyrano[3,4-b][1,4,7]trioxecine-5,14(1H,15H)-dione | C28H30O12

(3R,4aR,6aR,7S,8aR,11R,12aR,12bS,15S,16aR)-7,15-Dimethoxy-3,11-diphenyloctahydro[1,3]dioxino[5,4-h][1,3]dioxino[4',5':5,6]pyrano[3,4-b][1,4,7]trioxecine-5,14(1H,15H)-dione

  • Molecular FormulaC28H30O12
  • Average mass558.531 Da
  • Monoisotopic mass558.173706 Da
  • ChemSpider ID9436501

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3R,4aR,6aR,7S,8aR,11R,12aR,12bS,15S,16aR)-7,15-Dimethoxy-3,11-diphenyloctahydro[1,3]dioxino[5,4-h][1,3]dioxino[4',5':5,6]pyrano[3,4-b][1,4,7]trioxecin-5,14(1H,15H)-dion [German] [ACD/IUPAC Name]
(3R,4aR,6aR,7S,8aR,11R,12aR,12bS,15S,16aR)-7,15-Dimethoxy-3,11-diphenyloctahydro[1,3]dioxino[5,4-h][1,3]dioxino[4',5':5,6]pyrano[3,4-b][1,4,7]trioxecine-5,14(1H,15H)-dione [ACD/IUPAC Name]
(3R,4aR,6aR,7S,8aR,11R,12aR,12bS,15S,16aR)-7,15-Diméthoxy-3,11-diphényloctahydro[1,3]dioxino[5,4-h][1,3]dioxino[4',5':5,6]pyrano[3,4-b][1,4,7]trioxécine-5,14(1H,15H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 732.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 309.1±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 454.74
ACD/KOC (pH 5.5): 2779.91
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 454.74
ACD/KOC (pH 7.4): 2779.91
Polar Surface Area: 126 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 395.1±5.0 cm3

Click to predict properties on the Chemicalize site


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