ChemSpider 2D Image | (1R,2S,3S,4S,5R,6R,7S,9R)-3,4-Diacetoxy-7-(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0~1,6~]dodec-5-yl 3-furoate | C31H36O11

(1R,2S,3S,4S,5R,6R,7S,9R)-3,4-Diacetoxy-7-(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-5-yl 3-furoate

  • Molecular FormulaC31H36O11
  • Average mass584.611 Da
  • Monoisotopic mass584.225769 Da
  • ChemSpider ID26612594

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,3S,4S,5R,6R,7S,9R)-3,4-Diacetoxy-7-(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-5-yl 3-furoate [ACD/IUPAC Name]
(1R,2S,3S,4S,5R,6R,7S,9R)-3,4-Diacetoxy-7-(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-5-yl-3-furoat [German] [ACD/IUPAC Name]
3-Furancarboxylic acid, (3R,5S,5aR,6R,7S,8S,9S,9aR)-7,8-bis(acetyloxy)-5-(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-6-yl ester [ACD/Index Name]
3-Furoate de (1R,2S,3S,4S,5R,6R,7S,9R)-3,4-diacétoxy-7-(benzoyloxy)-2-hydroxy-2,6,10,10-tétraméthyl-11-oxatricyclo[7.2.1.01,6]dodéc-5-yle [French] [ACD/IUPAC 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: 644.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.5±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 145.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6064.32
ACD/KOC (pH 5.5): 17754.47
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6064.31
ACD/KOC (pH 7.4): 17754.43
Polar Surface Area: 148 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 436.3±5.0 cm3

Click to predict properties on the Chemicalize site


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