ChemSpider 2D Image | Nalorphine dinicotinate | C31H27N3O5

Nalorphine dinicotinate

  • Molecular FormulaC31H27N3O5
  • Average mass521.563 Da
  • Monoisotopic mass521.195068 Da
  • ChemSpider ID2340945
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(5α,6α)-17-Allyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl dinicotinate [ACD/IUPAC Name]
(5α,6α)-17-Allyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl-dinicotinat [German] [ACD/IUPAC Name]
3194-25-0 [RN]
3-Pyridinecarboxylic acid, (5α,6α)-7,8-didehydro-4,5-epoxy-17-(2-propen-1-yl)morphinan-3,6-diyl ester [ACD/Index Name]
Bis(nicotinic Acid) Diester of N-Allylnormorphine
Dinicotinate de (5α,6α)-17-allyl-7,8-didéhydro-4,5-époxymorphinane-3,6-diyle [French] [ACD/IUPAC Name]
Morphinan-3,6-α-diol, 17-allyl-7,8-didehydro-4,5α-epoxy-, dinicotinate (ester)
N-Allylnormorphine Bis(pyridine-3-carboxylic Acid) Ester
N-Allylnormorphine dinicotinate
Nalorphine Bis(nicotinate)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 701.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.8±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 11.89
ACD/KOC (pH 5.5): 85.69
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 202.18
ACD/KOC (pH 7.4): 1457.25
Polar Surface Area: 91 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 371.6±5.0 cm3

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