ChemSpider 2D Image | nalbuphine sebacate | C52H68N2O10

nalbuphine sebacate

  • Molecular FormulaC52H68N2O10
  • Average mass881.104 Da
  • Monoisotopic mass880.487366 Da
  • ChemSpider ID8138394

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

311768-81-7 [RN]
Bis[(5α,6α)-17-(cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-yl] sebacate [ACD/IUPAC Name]
Bis[(5α,6α)-17-(cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-yl]sebacat [German] [ACD/IUPAC Name]
Decanedioic acid, bis[(5α,6α)-17-(cyclobutylmethyl)-4,5-epoxy-6,14-dihydroxymorphinan-3-yl] ester [ACD/Index Name]
dinalbuphine sebacate [INN]
dinalbuphini sebacas [Latin] [INN]
nalbuphine sebacate [INN]
nalbuphini sebacas [Latin] [INN]
Sébacate de bis[(5α,6α)-17-(cyclobutylméthyl)-6,14-dihydroxy-4,5-époxymorphinane-3-yle] [French] [ACD/IUPAC Name]
sébacate de dinalbuphine [French] [INN]
More...

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

10185 [DBID]
464OXX39Y6 [DBID]
UNII:464OXX39Y6 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 237.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 4.48
ACD/KOC (pH 5.5): 7.67
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 2881.22
ACD/KOC (pH 7.4): 4935.59
Polar Surface Area: 158 Å2
Polarizability: 94.0±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 629.6±5.0 cm3

Click to predict properties on the Chemicalize site


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