ChemSpider 2D Image | (1R,5S,6S,7S)-2-Hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-5,7-diyl di(3-furoate) | C25H30O8

(1R,5S,6S,7S)-2-Hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane-5,7-diyl di(3-furoate)

  • Molecular FormulaC25H30O8
  • Average mass458.501 Da
  • Monoisotopic mass458.194061 Da
  • ChemSpider ID23550782

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,5S,6S,7S)-2-Hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5,7-diyl-di(3-furoat) [German] [ACD/IUPAC Name]
(1R,5S,6S,7S)-2-Hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane-5,7-diyl di(3-furoate) [ACD/IUPAC Name]
3-Furancarboxylic acid, (5S,5aS,6S,9aR)-octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,6-diyl ester [ACD/Index Name]
Di(3-furoate) de (1R,5S,6S,7S)-2-hydroxy-2,6,10,10-tétraméthyl-11-oxatricyclo[7.2.1.01,6]dodécane-5,7-diyle [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: 558.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 291.3±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1707.57
ACD/KOC (pH 5.5): 7166.95
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1707.57
ACD/KOC (pH 7.4): 7166.95
Polar Surface Area: 108 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 348.0±5.0 cm3

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