ChemSpider 2D Image | (3aR,5S,5aR,12bS,12cR)-5-Hydroxy-1-methyl-2,3,3a,4,5,5a,12b,12c-octahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1H)-one | C17H19NO5

(3aR,5S,5aR,12bS,12cR)-5-Hydroxy-1-methyl-2,3,3a,4,5,5a,12b,12c-octahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1H)-one

  • Molecular FormulaC17H19NO5
  • Average mass317.336 Da
  • Monoisotopic mass317.126312 Da
  • ChemSpider ID23326822

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3aR,5S,5aR,12bS,12cR)-5-Hydroxy-1-methyl-2,3,3a,4,5,5a,12b,12c-octahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1H)-on [German] [ACD/IUPAC Name]
(3aR,5S,5aR,12bS,12cR)-5-Hydroxy-1-methyl-2,3,3a,4,5,5a,12b,12c-octahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1H)-one [ACD/IUPAC Name]
(3aR,5S,5aR,12bS,12cR)-5-Hydroxy-1-méthyl-2,3,3a,4,5,5a,12b,12c-octahydro[1,3]dioxolo[6,7]isochroméno[3,4-g]indol-7(1H)-one [French] [ACD/IUPAC Name]
[1,3]Dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one, 2,3,3a,4,5,5a,12b,12c-octahydro-5-hydroxy-1-methyl-, (3aR,5S,5aR,12bS,12cR)- [ACD/Index Name]
Clivonine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL520210/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 523.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.4±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 80.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.11
Polar Surface Area: 68 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 229.2±3.0 cm3

Click to predict properties on the Chemicalize site


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