Found 93 results

Search term: MF = 'C_{32}H_{45}NO_{4}'
ChemSpider 2D Image | Propyl [(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenyl]carbamate | C32H45NO4

Propyl [(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenyl]carbamate

  • Molecular FormulaC32H45NO4
  • Average mass507.704 Da
  • Monoisotopic mass507.334869 Da
  • ChemSpider ID65017628

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,12b,14a-hexaméthyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tétradécahydro-2-picényl]carbamate de propyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(2R,4aS,6aS,12bR,14aS,14bR)-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-2-picenyl]-, propyl ester [ACD/Index Name]
Propyl [(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenyl]carbamate [ACD/IUPAC Name]
Propyl-[(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenyl]carbamat [German] [ACD/IUPAC 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: 668.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±6.0 kJ/mol
Flash Point: 358.3±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 145.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.31
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 355278.59
ACD/KOC (pH 5.5): 327019.44
ACD/LogD (pH 7.4): 7.58
ACD/BCF (pH 7.4): 334622.19
ACD/KOC (pH 7.4): 308006.06
Polar Surface Area: 76 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 437.2±5.0 cm3

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