ChemSpider 2D Image | N-2′-Indolylnaltrexamine | C29H31N3O4

N-2′-Indolylnaltrexamine

  • Molecular FormulaC29H31N3O4
  • Average mass485.574 Da
  • Monoisotopic mass485.231445 Da
  • ChemSpider ID58136807

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1H-Indole-2-carboxamide, N-[(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]- [ACD/Index Name]
N-[(5α,6β)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-[(5α,6β)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-1H-indole-2-carboxamide [ACD/IUPAC Name]
N-[(5α,6β)-17-(Cyclopropylméthyl)-3,14-dihydroxy-4,5-époxymorphinane-6-yl]-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]
N-2′-Indolylnaltrexamine [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 788.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 430.8±32.9 °C
Index of Refraction: 1.762
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.55
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 13.34
ACD/KOC (pH 7.4): 117.94
Polar Surface Area: 98 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 326.3±5.0 cm3

Click to predict properties on the Chemicalize site


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