Found 79 results

Search term: MF = 'C_{32}H_{49}NO_{4}'
ChemSpider 2D Image | 1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-Trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile | C32H49NO4

1-({[(1R,2S,3R,5Z,7E,14β,17α)-1,3,25-Trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile

  • Molecular FormulaC32H49NO4
  • Average mass511.736 Da
  • Monoisotopic mass511.366150 Da
  • ChemSpider ID35035108

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-({[(1R,2S,3R,5Z,7E,14β,17α)-1,3,25-Trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropancarbonitril [German] [ACD/IUPAC Name]
1-({[(1R,2S,3R,5Z,7E,14β,17α)-1,3,25-Trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile [ACD/IUPAC Name]
1-({[(1R,2S,3R,5Z,7E,14β,17α)-1,3,25-Trihydroxy-9,10-sécocholesta-5,7,10-trién-2-yl]oxy}méthyl)cyclopropanecarbonitrile [French] [ACD/IUPAC Name]
Cyclopropanecarbonitrile, 1-[[[(1S,2R,4Z,6R)-2,6-dihydroxy-3-methylene-4-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]cyclohexyl]oxy]met hyl]- [ACD/Index Name]
3AJ

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

Density: 1.1±0.1 g/cm3
Boiling Point: 670.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 359.2±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15515.18
ACD/KOC (pH 5.5): 34780.14
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15515.16
ACD/KOC (pH 7.4): 34780.10
Polar Surface Area: 94 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 454.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement