ChemSpider 2D Image | (5aS,10bS)-6-Acetyl-3-benzyl-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione | C27H29N3O3

(5aS,10bS)-6-Acetyl-3-benzyl-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione

  • Molecular FormulaC27H29N3O3
  • Average mass443.538 Da
  • Monoisotopic mass443.220886 Da
  • ChemSpider ID68024497

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5aS,10bS)-6-Acetyl-3-benzyl-10b-(2-methyl-3-buten-2-yl)-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]
(5aS,10bS)-6-Acetyl-3-benzyl-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione [ACD/IUPAC Name]
(5aS,10bS)-6-Acétyl-3-benzyl-10b-(2-méthyl-3-butén-2-yl)-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-acetyl-10b-(1,1-dimethyl-2-propen-1-yl)-6,10b,11,11a-tetrahydro-3-(phenylmethyl)-, (5aS,10bS)- [ACD/Index Name]
Puberulin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.9±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.25
ACD/KOC (pH 5.5): 1616.70
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.26
ACD/KOC (pH 7.4): 1616.72
Polar Surface Area: 70 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 346.3±5.0 cm3

Click to predict properties on the Chemicalize site


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