ChemSpider 2D Image | Raspacionin A | C34H56O8

Raspacionin A

  • Molecular FormulaC34H56O8
  • Average mass592.804 Da
  • Monoisotopic mass592.397522 Da
  • ChemSpider ID10316964

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3S,5aR,6S,7S,9aR)-6-{2-[(1R,2R,3R,6R,9R)-9-Hydroxy-2,3,8,8-tetramethyl-7,12-dioxatricyclo[7.2.1.01,6]dodec-2-yl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepin-3,7-diyl-diacetat [German] [ACD/IUPAC Name]
(3S,5aR,6S,7S,9aR)-6-{2-[(1R,2R,3R,6R,9R)-9-Hydroxy-2,3,8,8-tetramethyl-7,12-dioxatricyclo[7.2.1.01,6]dodec-2-yl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diyl diacetate [ACD/IUPAC Name]
1-Benzoxepin-3,7-diol, decahydro-2,2,5a,7-tetramethyl-6-[2-[(3R,5aR,6R,7R,9aR)-octahydro-3-hydroxy-2,2,6,7-tetramethyl-6H-3,5a-epoxy-1-benzoxepin-6-yl]ethyl]-, 3,7-diacetate, (3S,5aR,6S,7S,9aR)- [ACD/Index Name]
Diacétate de (3S,5aR,6S,7S,9aR)-6-{2-[(1R,2R,3R,6R,9R)-9-hydroxy-2,3,8,8-tétraméthyl-7,12-dioxatricyclo[7.2.1.01,6]dodéc-2-yl]éthyl}-2,2,5a,7-tétraméthyldécahydro-1-benzoxépine-3,7-diyle [French] [ACD/IUPAC Name]
Raspacionin A
raspacionin-A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 622.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 183.5±25.0 °C
Index of Refraction: 1.531
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 74521.66
ACD/KOC (pH 5.5): 106944.88
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 74521.09
ACD/KOC (pH 7.4): 106944.06
Polar Surface Area: 101 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 516.3±5.0 cm3

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