ChemSpider 2D Image | (6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2-(~2~H_3_)methyl(3,4-~13~C_2_)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione | C2013C2H16D3N3O4

(6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2-(2H3)methyl(3,4-13C2)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

  • Molecular FormulaC2013C2H16D3N3O4
  • Average mass394.408 Da
  • Monoisotopic mass394.163086 Da
  • ChemSpider ID77499232

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2-(2H3)methyl(3,4-13C2)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-1,4-dion [German] [ACD/IUPAC Name]
(6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2-(2H3)methyl(3,4-13C2)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [ACD/IUPAC Name]
(6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2-(2H3)méthyl(3,4-13C2)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [French] [ACD/IUPAC Name]
Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione-3,4-13C2, 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-(methyl-d3)-, (6R,12aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.758
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 81.6±5.0 dyne/cm
Molar Volume: 256.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement