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Search term: DATA_SOURCE in ('Sigma-Aldrich Compliance')
ChemSpider 2D Image | Naloxone-D5 | C19H16D5NO4

Naloxone-D5

  • Molecular FormulaC19H16D5NO4
  • Average mass332.405 Da
  • Monoisotopic mass332.178436 Da
  • ChemSpider ID34449149

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α)-3,14-Dihydroxy-17-[(2H5)-2-propen-1-yl]-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α)-3,14-Dihydroxy-17-[(2H5)-2-propen-1-yl]-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α)-3,14-Dihydroxy-17-[(2H5)-2-propén-1-yl]-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
1261079-38-2 [RN]
200-659-6 [EINECS]
MFCD08063611
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl-d5)-, (5α)- [ACD/Index Name]
Naloxone-D5
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
[1261079-38-2] [RN]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 532.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 276.1±30.1 °C
Index of Refraction: 1.691
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.35
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 6.64
ACD/KOC (pH 7.4): 125.39
Polar Surface Area: 70 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 228.1±5.0 cm3

Click to predict properties on the Chemicalize site


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