ChemSpider 2D Image | (13aS)-2,10,11-Trimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-3-ol 7-oxide | C20H23NO5

(13aS)-2,10,11-Trimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-3-ol 7-oxide

  • Molecular FormulaC20H23NO5
  • Average mass357.400 Da
  • Monoisotopic mass357.157623 Da
  • ChemSpider ID24690179

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(13aS) 7-Oxyde de 2,10,11-triméthoxy-5,8,13,13a-tétrahydro-6H-isoquinoléino[3,2-a]isoquinoléin-3-ol [French] [ACD/IUPAC Name]
(13aS)-2,10,11-Trimethoxy-5,8,13,13a-tetrahydro-6H-isochinolino[3,2-a]isochinolin-3-ol-7-oxid [German] [ACD/IUPAC Name]
(13aS)-2,10,11-Trimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-3-ol 7-oxide [ACD/IUPAC Name]
6H-Dibenzo[a,g]quinolizin-3-ol, 5,8,13,13a-tetrahydro-2,10,11-trimethoxy-, 7-oxide, (13aS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL456615/

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.00
ACD/KOC (pH 5.5): 73.96
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.28
ACD/KOC (pH 7.4): 80.71
Polar Surface Area: 65 Å2
Polarizability:
Surface Tension:
Molar Volume:

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