ChemSpider 2D Image | (3aR,13cS)-3a,5,9,13c-Tetrahydro-1H-indolo[3',4':5,6,7]pyrrolo[3',4':3,4]cyclohepta[1,2-b]indole-1,3(2H)-dione | C20H13N3O2

(3aR,13cS)-3a,5,9,13c-Tetrahydro-1H-indolo[3',4':5,6,7]pyrrolo[3',4':3,4]cyclohepta[1,2-b]indole-1,3(2H)-dione

  • Molecular FormulaC20H13N3O2
  • Average mass327.336 Da
  • Monoisotopic mass327.100769 Da
  • ChemSpider ID24720333

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,13cS)-3a,5,9,13c-Tetrahydro-1H-indolo[3',4':5,6,7]pyrrolo[3',4':3,4]cyclohepta[1,2-b]indol-1,3(2H)-dion [German] [ACD/IUPAC Name]
(3aR,13cS)-3a,5,9,13c-Tetrahydro-1H-indolo[3',4':5,6,7]pyrrolo[3',4':3,4]cyclohepta[1,2-b]indole-1,3(2H)-dione [ACD/IUPAC Name]
(3aR,13cS)-3a,5,9,13c-Tétrahydro-1H-indolo[3',4':5,6,7]pyrrolo[3',4':3,4]cyclohepta[1,2-b]indole-1,3(2H)-dione [French] [ACD/IUPAC Name]
DIHYDROARCYRIACYANIN A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 752.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 409.1±32.9 °C
Index of Refraction: 1.827
Molar Refractivity: 93.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.69
ACD/KOC (pH 5.5): 511.19
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.69
ACD/KOC (pH 7.4): 511.20
Polar Surface Area: 78 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 80.8±3.0 dyne/cm
Molar Volume: 214.2±3.0 cm3

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