ChemSpider 2D Image | (8aR,12aS,13aS)-12-(Ethylsulfonyl)-3-methoxy-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquinolino[2,1-g][1,6]naphthyridin-7-ium | C19H29N2O3S

(8aR,12aS,13aS)-12-(Ethylsulfonyl)-3-methoxy-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquinolino[2,1-g][1,6]naphthyridin-7-ium

  • Molecular FormulaC19H29N2O3S
  • Average mass365.510 Da
  • Monoisotopic mass365.189331 Da
  • ChemSpider ID57558284

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8aR,12aS,13aS)-12-(Ethylsulfonyl)-3-methoxy-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isochinolino[2,1-g][1,6]naphthyridin-7-ium [German] [ACD/IUPAC Name]
(8aR,12aS,13aS)-12-(Éthylsulfonyl)-3-méthoxy-5,8,8a,9,10,11,12,12a,13,13a-décahydro-6H-isoquinoléino[2,1-g][1,6]naphtyridin-7-ium [French] [ACD/IUPAC Name]
(8aR,12aS,13aS)-12-(Ethylsulfonyl)-3-methoxy-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquinolino[2,1-g][1,6]naphthyridin-7-ium [ACD/IUPAC Name]
6H-Isoquino[2,1-g][1,6]naphthyridine, 12-(ethylsulfonyl)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-, conjugate monoacid, (8aR,12aS,13aS)- [ACD/Index Name]
(8aR,12aS,13aS)-12-(Ethanesulfonyl)-3-methoxy-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquinolino[2,1-g][1,6]naphthyridin-7-ium
158854-42-3 [RN]

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

Density:
Boiling Point: 517.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 267.0±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 2.92
ACD/KOC (pH 5.5): 18.91
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 134.09
ACD/KOC (pH 7.4): 869.57
Polar Surface Area: 59 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement