ChemSpider 2D Image | IBNtxA | C27H29IN2O4

IBNtxA

  • Molecular FormulaC27H29IN2O4
  • Average mass572.435 Da
  • Monoisotopic mass572.117188 Da
  • ChemSpider ID26617995
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

Benzamide, N-[(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-iodo- [ACD/Index Name]
IBNtxA [Wiki]
N-[(5α,6β)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-3-iodbenzamid [German] [ACD/IUPAC Name]
N-[(5α,6β)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-3-iodobenzamide [ACD/IUPAC Name]
N-[(5α,6β)-17-(Cyclopropylméthyl)-3,14-dihydroxy-4,5-époxymorphinane-6-yl]-3-iodobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 721.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 390.1±32.9 °C
Index of Refraction: 1.752
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 12.03
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 66.81
ACD/KOC (pH 7.4): 533.41
Polar Surface Area: 82 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 80.7±5.0 dyne/cm
Molar Volume: 333.0±5.0 cm3

Click to predict properties on the Chemicalize site





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