ChemSpider 2D Image | (1S,5R,13R,17S)-17-Hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]octadeca-7(18),8,10-trien-14-one 4-oxide | C18H21NO5

(1S,5R,13R,17S)-17-Hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one 4-oxide

  • Molecular FormulaC18H21NO5
  • Average mass331.363 Da
  • Monoisotopic mass331.141968 Da
  • ChemSpider ID27524598

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,5R,13R,17S) 4-Oxyde de 17-hydroxy-10-méthoxy-4-méthyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadéca-7(18),8,10-trién-14-one [French] [ACD/IUPAC Name]
(1S,5R,13R,17S)-17-Hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-on-4-oxid [German] [ACD/IUPAC Name]
(1S,5R,13R,17S)-17-Hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one 4-oxide [ACD/IUPAC Name]
4,12-Methano-1H-benzofuro[3,2-e]isoquinolin-7(7aH)-one, 2,3,4,4a,5,6-hexahydro-4a-hydroxy-9-methoxy-3-methyl-, 3-oxide, (4R,4aS,7aR,12bS)- [ACD/Index Name]
71539-52-1 [RN]
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-3-oxido-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7-one
Oxycodone N-Oxide

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.27
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.47
Polar Surface Area: 73 Å2
Polarizability:
Surface Tension:
Molar Volume:

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