ChemSpider 2D Image | okaramine C | C32H36N4O3

okaramine C

  • Molecular FormulaC32H36N4O3
  • Average mass524.653 Da
  • Monoisotopic mass524.278748 Da
  • ChemSpider ID9470398
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3S,5aR,10bS,11aS)-10b-Hydroxy-6-(2-methyl-3-buten-2-yl)-3-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-1,4(3H,5aH)-dion [German] [ACD/IUPAC Name]
(3S,5aR,10bS,11aS)-10b-Hydroxy-6-(2-methyl-3-buten-2-yl)-3-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione [ACD/IUPAC Name]
(3S,5aR,10bS,11aS)-10b-Hydroxy-6-(2-méthyl-3-butén-2-yl)-3-{[2-(2-méthyl-3-butén-2-yl)-1H-indol-3-yl]méthyl}-6,10b,11,11a-tétrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione [French] [ACD/IUPAC Name]
2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 6-(1,1-dimethyl-2-propen-1-yl)-3-[[2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methyl]-6,10b,11,11a-tetrahydro-10b-hydroxy-, (3S,5aR,10bS ,11aS)- [ACD/Index Name]
okaramine C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 767.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 418.2±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 152.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 376.22
ACD/KOC (pH 5.5): 2420.68
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 379.74
ACD/KOC (pH 7.4): 2443.35
Polar Surface Area: 89 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 402.8±5.0 cm3

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