ChemSpider 2D Image | (3S,5aR,10bS,11aS)-10b-Hydroxy-7-(3-methyl-2-buten-1-yl)-3-{[7-(3-methyl-2-buten-1-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 | C32H36N4O3

(3S,5aR,10bS,11aS)-10b-Hydroxy-7-(3-methyl-2-buten-1-yl)-3-{[7-(3-methyl-2-buten-1-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

  • Molecular FormulaC32H36N4O3
  • Average mass524.653 Da
  • Monoisotopic mass524.278748 Da
  • ChemSpider ID35516957

  • 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-7-(3-methyl-2-buten-1-yl)-3-{[7-(3-methyl-2-buten-1-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-7-(3-methyl-2-buten-1-yl)-3-{[7-(3-methyl-2-buten-1-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-7-(3-méthyl-2-butén-1-yl)-3-{[7-(3-méthyl-2-butén-1-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, 6,10b,11,11a-tetrahydro-10b-hydroxy-7-(3-methyl-2-buten-1-yl)-3-[[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl]-, (3S,5aR,10bS,11aS)- [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: 807.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 442.0±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 463.83
ACD/KOC (pH 5.5): 2819.09
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 464.10
ACD/KOC (pH 7.4): 2820.72
Polar Surface Area: 97 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 398.5±5.0 cm3

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