ChemSpider 2D Image | Methyl (3beta)-6-nitrocholest-5-en-3-yl carbonate | C29H47NO5

Methyl (3β)-6-nitrocholest-5-en-3-yl carbonate

  • Molecular FormulaC29H47NO5
  • Average mass489.687 Da
  • Monoisotopic mass489.345428 Da
  • ChemSpider ID57422549

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Carbonate de méthyle et de (3β)-6-nitrocholest-5-én-3-yle [French] [ACD/IUPAC Name]
Carbonic acid, methyl (3β)-6-nitrocholest-5-en-3-yl ester [ACD/Index Name]
Methyl (3β)-6-nitrocholest-5-en-3-yl carbonate [ACD/IUPAC Name]
Methyl-(3β)-6-nitrocholest-5-en-3-ylcarbonat [German] [ACD/IUPAC Name]
(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-6-nitro-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl methyl carbonate
132305-59-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 580.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 184.5±26.5 °C
Index of Refraction: 1.526
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.67
ACD/LogD (pH 5.5): 8.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 766438.19
ACD/LogD (pH 7.4): 8.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 766438.19
Polar Surface Area: 81 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 446.5±5.0 cm3

Click to predict properties on the Chemicalize site


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