ChemSpider 2D Image | (5R,5aR,6R)-6-(4,5-Dimethoxy-2-nitrophenyl)-2,3,8,9-tetramethoxy-5a-methyl-5,5a,6,10b-tetrahydroindeno[1,2-a]inden-5-yl acetate | C31H33NO10

(5R,5aR,6R)-6-(4,5-Dimethoxy-2-nitrophenyl)-2,3,8,9-tetramethoxy-5a-methyl-5,5a,6,10b-tetrahydroindeno[1,2-a]inden-5-yl acetate

  • Molecular FormulaC31H33NO10
  • Average mass579.594 Da
  • Monoisotopic mass579.210449 Da
  • ChemSpider ID9596731

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5R,5aR,6R)-6-(4,5-Dimethoxy-2-nitrophenyl)-2,3,8,9-tetramethoxy-5a-methyl-5,5a,6,10b-tetrahydroindeno[1,2-a]inden-5-yl acetate [ACD/IUPAC Name]
(5R,5aR,6R)-6-(4,5-Dimethoxy-2-nitrophenyl)-2,3,8,9-tetramethoxy-5a-methyl-5,5a,6,10b-tetrahydroindeno[1,2-a]inden-5-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5R,5aR,6R)-6-(4,5-diméthoxy-2-nitrophényl)-2,3,8,9-tétraméthoxy-5a-méthyl-5,5a,6,10b-tétrahydroindéno[1,2-a]indén-5-yle [French] [ACD/IUPAC Name]
Indeno[1,2-a]inden-5-ol, 6-(4,5-dimethoxy-2-nitrophenyl)-5,5a,6,10b-tetrahydro-2,3,8,9-tetramethoxy-5a-methyl-, acetate (ester), (5R,5aR,6R)- [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: 658.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 222.7±33.5 °C
Index of Refraction: 1.615
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1906.56
ACD/KOC (pH 5.5): 7755.33
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1906.56
ACD/KOC (pH 7.4): 7755.33
Polar Surface Area: 128 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 431.3±5.0 cm3

Click to predict properties on the Chemicalize site


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