ChemSpider 2D Image | N-(3-BUTENYL)NORBUPRENORPHINE | C29H41NO4

N-(3-BUTENYL)NORBUPRENORPHINE

  • Molecular FormulaC29H41NO4
  • Average mass467.640 Da
  • Monoisotopic mass467.303558 Da
  • ChemSpider ID32699584

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,6β,14β,18R)-17-(3-Buten-1-yl)-18-[(2S)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5β,6β,14β,18R)-17-(3-Buten-1-yl)-18-[(2S)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5β,6β,14β,18R)-17-(3-Butén-1-yl)-18-[(2S)-2-hydroxy-3,3-diméthyl-2-butanyl]-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
457071-73-7 [RN]
6,14-Ethenomorphinan-3-ol, 17-(3-buten-1-yl)-4,5-epoxy-18,19-dihydro-18-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-, (5β,6β,14β,18R)- [ACD/Index Name]
N-(3-BUTENYL)NORBUPRENORPHINE

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

FK1305SA1B [DBID]
UNII:FK1305SA1B [DBID]
UNII-FK1305SA1B [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 311.0±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 6.91
ACD/KOC (pH 5.5): 25.65
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 331.75
ACD/KOC (pH 7.4): 1231.50
Polar Surface Area: 62 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 381.8±5.0 cm3

Click to predict properties on the Chemicalize site


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