Found 60 results

Search term: MF = 'C_{29}H_{47}NO_{5}'
ChemSpider 2D Image | Methyl (3alpha,10alpha,13alpha,17alpha,20S)-6-nitrocholest-5-en-3-yl carbonate | C29H47NO5

Methyl (3α,10α,13α,17α,20S)-6-nitrocholest-5-en-3-yl carbonate

  • Molecular FormulaC29H47NO5
  • Average mass489.687 Da
  • Monoisotopic mass489.345428 Da
  • ChemSpider ID22902417

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

Carbonate de méthyle et de (3α,10α,13α,17α,20S)-6-nitrocholest-5-én-3-yle [French] [ACD/IUPAC Name]
Carbonic acid, methyl (3α,10α,13α,17α,20S)-6-nitrocholest-5-en-3-yl ester [ACD/Index Name]
Methyl (3α,10α,13α,17α,20S)-6-nitrocholest-5-en-3-yl carbonate [ACD/IUPAC Name]
Methyl-(3α,10α,13α,17α,20S)-6-nitrocholest-5-en-3-ylcarbonat [German] [ACD/IUPAC Name]

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

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