ChemSpider 2D Image | Benzyl (5alpha,19R)-17-methoxy-19-[(4-nitrobenzoyl)oxy]-17-oxocorynan-5-carboxylate | C35H35N3O8

Benzyl (5α,19R)-17-methoxy-19-[(4-nitrobenzoyl)oxy]-17-oxocorynan-5-carboxylate

  • Molecular FormulaC35H35N3O8
  • Average mass625.668 Da
  • Monoisotopic mass625.242432 Da
  • ChemSpider ID8253226

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5α,19R)-17-Méthoxy-19-[(4-nitrobenzoyl)oxy]-17-oxocorynan-5-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl (5α,19R)-17-methoxy-19-[(4-nitrobenzoyl)oxy]-17-oxocorynan-5-carboxylate [ACD/IUPAC Name]
Benzyl-(5α,19R)-17-methoxy-19-[(4-nitrobenzoyl)oxy]-17-oxocorynan-5-carboxylat [German] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-2-acetic acid, 1,2,3,4,6,7,12,12b-octahydro-3-[(1R)-1-[(4-nitrobenzoyl)oxy]ethyl]-6-[(phenylmethoxy)carbonyl]-, methyl ester, (2R,3R,6R,12bS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 765.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.5±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 168.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 5791.81
ACD/KOC (pH 5.5): 10578.85
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30177.28
ACD/KOC (pH 7.4): 55119.33
Polar Surface Area: 144 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 455.9±5.0 cm3

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