ChemSpider 2D Image | (2R,7aS,8S,8aS,11R,11aS,11bR,11cS)-8-Ethyl-11-methyl-2-[(2R,4R)-4-methyl-5-oxotetrahydro-2-furanyl]dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one | C22H33NO4

(2R,7aS,8S,8aS,11R,11aS,11bR,11cS)-8-Ethyl-11-methyl-2-[(2R,4R)-4-methyl-5-oxotetrahydro-2-furanyl]dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one

  • Molecular FormulaC22H33NO4
  • Average mass375.502 Da
  • Monoisotopic mass375.240967 Da
  • ChemSpider ID82965072

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,7aS,8S,8aS,11R,11aS,11bR,11cS)-8-Ethyl-11-methyl-2-[(2R,4R)-4-methyl-5-oxotetrahydro-2-furanyl]dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-on [German] [ACD/IUPAC Name]
(2R,7aS,8S,8aS,11R,11aS,11bR,11cS)-8-Ethyl-11-methyl-2-[(2R,4R)-4-methyl-5-oxotetrahydro-2-furanyl]dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one [ACD/IUPAC Name]
(2R,7aS,8S,8aS,11R,11aS,11bR,11cS)-8-Éthyl-11-méthyl-2-[(2R,4R)-4-méthyl-5-oxotétrahydro-2-furanyl]dodécahydroazépino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one [French] [ACD/IUPAC Name]
Azepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one, 8-ethyldodecahydro-11-methyl-2-[(2R,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (2R,7aS,8S,8aS,11R,11aS,11bR,11cS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 289.0±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 101.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 16.86
Polar Surface Area: 56 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 314.5±5.0 cm3

Click to predict properties on the Chemicalize site


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