ChemSpider 2D Image | (4bR,6R)-6-Methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one | C16H21NO3

(4bR,6R)-6-Methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one

  • Molecular FormulaC16H21NO3
  • Average mass275.343 Da
  • Monoisotopic mass275.152130 Da
  • ChemSpider ID23211205

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4bR,6R)-6-Methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-on [German] [ACD/IUPAC Name]
(4bR,6R)-6-Methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one [ACD/IUPAC Name]
(4bR,6R)-6-Méthoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one [French] [ACD/IUPAC Name]
3H,5H-Pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one, 1,4,6,7,9,10,12,13-octahydro-6-methoxy-, (4bR,6R)- [ACD/Index Name]
(12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro-8H-pyrano[4',3':3,4]pyrido[2,1-i]indol-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL335712/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 486.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 248.1±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 74.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.61
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 13.55
ACD/KOC (pH 7.4): 190.54
Polar Surface Area: 39 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 220.3±5.0 cm3

Click to predict properties on the Chemicalize site


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