ChemSpider 2D Image | (2R)-5-Oxo-3-{1-[(1R,3aS,7aS)-4,4,7a-trimethyloctahydro-1H-inden-1-yl]vinyl}hexahydrofuro[2,3-b]furan-2-yl acetate | C22H32O5

(2R)-5-Oxo-3-{1-[(1R,3aS,7aS)-4,4,7a-trimethyloctahydro-1H-inden-1-yl]vinyl}hexahydrofuro[2,3-b]furan-2-yl acetate

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID28289664

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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(2R)-5-Oxo-3-{1-[(1R,3aS,7aS)-4,4,7a-trimethyloctahydro-1H-inden-1-yl]vinyl}hexahydrofuro[2,3-b]furan-2-yl acetate [ACD/IUPAC Name]
(2R)-5-Oxo-3-{1-[(1R,3aS,7aS)-4,4,7a-trimethyloctahydro-1H-inden-1-yl]vinyl}hexahydrofuro[2,3-b]furan-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2R)-5-oxo-3-{1-[(1R,3aS,7aS)-4,4,7a-triméthyloctahydro-1H-indén-1-yl]vinyl}hexahydrofuro[2,3-b]furan-2-yle [French] [ACD/IUPAC Name]
Furo[2,3-b]furan-2(3H)-one, 5-(acetyloxy)tetrahydro-4-[1-[(1R,3aS,7aS)-octahydro-4,4,7a-trimethyl-1H-inden-1-yl]ethenyl]-, (5R)- [ACD/Index Name]
norrisolide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 491.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 212.5±28.8 °C
Index of Refraction: 1.529
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1441.14
ACD/KOC (pH 5.5): 6347.47
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1441.14
ACD/KOC (pH 7.4): 6347.47
Polar Surface Area: 62 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 326.5±5.0 cm3

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