ChemSpider 2D Image | Dimethyl (2R,3aR,4R,6aR,7R,9S,9bS)-2-(3-furyl)-9,9a-dihydroxy-3a,6a-dimethyldodecahydrobenzo[de]chromene-4,7-dicarboxylate | C22H30O8

Dimethyl (2R,3aR,4R,6aR,7R,9S,9bS)-2-(3-furyl)-9,9a-dihydroxy-3a,6a-dimethyldodecahydrobenzo[de]chromene-4,7-dicarboxylate

  • Molecular FormulaC22H30O8
  • Average mass422.469 Da
  • Monoisotopic mass422.194061 Da
  • ChemSpider ID24739632

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3aR,4R,6aR,7R,9S,9bS)-2-(3-Furyl)-9,9a-dihydroxy-3a,6a-diméthyldodécahydrobenzo[de]chromène-4,7-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (2R,3aR,4R,6aR,7R,9S,9bS)-2-(3-furyl)-9,9a-dihydroxy-3a,6a-dimethyldodecahydrobenzo[de]chromene-4,7-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(2R,3aR,4R,6aR,7R,9S,9bS)-2-(3-furyl)-9,9a-dihydroxy-3a,6a-dimethyldodecahydrobenzo[de]chromen-4,7-dicarboxylat [German] [ACD/IUPAC Name]
Naphtho[1,8-bc]pyran-4,7-dicarboxylic acid, 2-(3-furanyl)dodecahydro-9,9a-dihydroxy-3a,6a-dimethyl-, dimethyl ester, (2R,3aR,4R,6aR,7R,9S,9bS)- [ACD/Index 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: 512.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.5±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.07
ACD/KOC (pH 5.5): 765.73
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.07
ACD/KOC (pH 7.4): 765.71
Polar Surface Area: 115 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 324.1±3.0 cm3

Click to predict properties on the Chemicalize site


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