ChemSpider 2D Image | (3aS,3a'S,8aR,8a'R)-1,1'-Dimethyl-7-[(3aR,8aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl]-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole | C33H38N6

(3aS,3a'S,8aR,8a'R)-1,1'-Dimethyl-7-[(3aR,8aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl]-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole

  • Molecular FormulaC33H38N6
  • Average mass518.695 Da
  • Monoisotopic mass518.315796 Da
  • ChemSpider ID128925549

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,3a'S,8aR,8a'R)-1,1'-Dimethyl-7-[(3aR,8aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl]-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indol [German] [ACD/IUPAC Name]
(3aS,3a'S,8aR,8a'R)-1,1'-Dimethyl-7-[(3aR,8aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl]-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole [ACD/IUPAC Name]
(3aS,3a'S,8aR,8a'R)-1,1'-Diméthyl-7-[(3aR,8aS)-1-méthyl-2,3,8,8a-tétrahydropyrrolo[2,3-b]indol-3a(1H)-yl]-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole [French] [ACD/IUPAC Name]
Pyrrolo[2,3-b]indole, 3a-[(3aS,3a'S,8aR,8a'R)-2,2',3,3',8,8',8a,8'a-octahydro-1,1'-dimethyl[3a,3'a(1H,1'H)-bipyrrolo[2,3-b]indol]-7-yl]-1,2,3,3a,8,8a-hexahydro-1-methyl-, (3aR,8aS)- [ACD/Index Name]
18210-71-4 [RN]
hodgkinsine

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.32
Polar Surface Area: 46 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 412.2±3.0 cm3

Click to predict properties on the Chemicalize site


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