Found 1 result

Search term: NPESCIWDLXKGQB-UHFFFAOYAD (Found by InChIKey (full match))

ChemSpider 2D Image | 2-Isopropyl-5-methylcyclohexyl {[17-(3,4-difluorobenzoyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]nonadeca-16,18-dien-5-yl]methyl}[4-(trifluoromethoxy)benzyl]carbamate | C48H58F5NO6

2-Isopropyl-5-methylcyclohexyl {[17-(3,4-difluorobenzoyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}[4-(trifluoromethoxy)benzyl]carbamate

  • Molecular FormulaC48H58F5NO6
  • Average mass839.969 Da
  • Monoisotopic mass839.418457 Da
  • ChemSpider ID2780750

More details:






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

{[17-(3,4-Difluorobenzoyl)-5,13-dihydroxy-6,10-diméthylpentacyclo[13.2.2.01,9.02,6.010,15]nonadéca-16,18-dién-5-yl]méthyl}[4-(trifluorométhoxy)benzyl]carbamate de 2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
2-Isopropyl-5-methylcyclohexyl {[17-(3,4-difluorobenzoyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}[4-(trifluoromethoxy)benzyl]carbamate [ACD/IUPAC Name]
2-Isopropyl-5-methylcyclohexyl-{[17-(3,4-difluorbenzoyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}[4-(trifluormethoxy)benzyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[7-(3,4-difluorobenzoyl)-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-3,17-dihydroxy-10,13-dimethyl-5,8-etheno-2H-cyclopenta[a]phenanthren-17-yl]methyl]-N-[[4-(trifluoromethoxy)phenyl ]methyl]-, 5-methyl-2-(1-methylethyl)cyclohexyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 216.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 11.68
ACD/LogD (pH 5.5): 10.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 96 Å2
Polarizability: 85.9±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 640.7±5.0 cm3

Click to predict properties on the Chemicalize site





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