ChemSpider 2D Image | 2-Methyl-2-propanyl [(8S,11S)-16-(benzyloxy)-5-cyano-3-(2-hydroxyphenyl)-8-isopropyl-10-oxo-18-oxa-6,9-diazatricyclo[11.3.1.1~4,7~]octadeca-1(17),2,4,6,13,15-hexaen-11-yl]carbamate | C37H38N4O6

2-Methyl-2-propanyl [(8S,11S)-16-(benzyloxy)-5-cyano-3-(2-hydroxyphenyl)-8-isopropyl-10-oxo-18-oxa-6,9-diazatricyclo[11.3.1.14,7]octadeca-1(17),2,4,6,13,15-hexaen-11-yl]carbamate

  • Molecular FormulaC37H38N4O6
  • Average mass634.721 Da
  • Monoisotopic mass634.279114 Da
  • ChemSpider ID8755290

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(8S,11S)-16-(Benzyloxy)-5-cyano-3-(2-hydroxyphényl)-8-isopropyl-10-oxo-18-oxa-6,9-diazatricyclo[11.3.1.14,7]octadéca-1(17),2,4,6,13,15-hexaén-11-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(8S,11S)-16-(benzyloxy)-5-cyano-3-(2-hydroxyphenyl)-8-isopropyl-10-oxo-18-oxa-6,9-diazatricyclo[11.3.1.14,7]octadeca-1(17),2,4,6,13,15-hexaen-11-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(8S,11S)-16-(benzyloxy)-5-cyan-3-(2-hydroxyphenyl)-8-isopropyl-10-oxo-18-oxa-6,9-diazatricyclo[11.3.1.14,7]octadeca-1(17),2,4,6,13,15-hexaen-11-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(8S,11S)-5-cyano-3-(2-hydroxyphenyl)-8-(1-methylethyl)-10-oxo-16-(phenylmethoxy)-18-oxa-6,9-diazatricyclo[11.3.1.14,7]octadeca-1(17),2,4,6,13,15-hexaen-11-yl]-, 1,1-dimethylethyl e ster [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 853.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 469.7±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 175.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6397.98
ACD/KOC (pH 5.5): 18446.64
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6240.81
ACD/KOC (pH 7.4): 17993.49
Polar Surface Area: 147 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 488.1±5.0 cm3

Click to predict properties on the Chemicalize site


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