ChemSpider 2D Image | (5aR,12S,14aR)-9-Methoxy-12-(2-methyl-1-propen-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione | C22H25N3O3

(5aR,12S,14aR)-9-Methoxy-12-(2-methyl-1-propen-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione

  • Molecular FormulaC22H25N3O3
  • Average mass379.452 Da
  • Monoisotopic mass379.189606 Da
  • ChemSpider ID118210104

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5aR,12S,14aR)-9-Methoxy-12-(2-methyl-1-propen-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indol-5,14-dion [German] [ACD/IUPAC Name]
(5aR,12S,14aR)-9-Methoxy-12-(2-methyl-1-propen-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione [ACD/IUPAC Name]
(5aR,12S,14aR)-9-Méthoxy-12-(2-méthyl-1-propén-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione [French] [ACD/IUPAC Name]
5H,14H-Pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-9-methoxy-12-(2-methyl-1-propen-1-yl)-, (5aR,12S,14aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.6±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 106.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.08
ACD/KOC (pH 5.5): 444.18
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.08
ACD/KOC (pH 7.4): 444.18
Polar Surface Area: 66 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 282.6±5.0 cm3

Click to predict properties on the Chemicalize site


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