ChemSpider 2D Image | (1S,4R,5R,13R,17R)-10-Hydroxy-4-(~2~H_3_)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 | C17H16D3NO4

(1S,4R,5R,13R,17R)-10-Hydroxy-4-(2H3)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 FormulaC17H16D3NO4
  • Average mass304.355 Da
  • Monoisotopic mass304.150238 Da
  • ChemSpider ID58784052
  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(1S,4R,5R,13R,17R) 4-Oxyde de 10-hydroxy-4-(2H3)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,4R,5R,13R,17R)-10-Hydroxy-4-(2H3)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,4R,5R,13R,17R)-10-Hydroxy-4-(2H3)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-9-hydroxy-3-(methyl-d3)-, 3-oxide, (3R,4R,4aR,7aR,12bS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.94
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.92
Polar Surface Area: 64 Å2
Polarizability:
Surface Tension:
Molar Volume:

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