ChemSpider 2D Image | 1,10-Dihydroxy-11-[(2R)-1-methyl-2-pyrrolidinyl]-2-[(1S)-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]-3-vinyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium | C34H36N5O2

1,10-Dihydroxy-11-[(2R)-1-methyl-2-pyrrolidinyl]-2-[(1S)-2-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl]-3-vinyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium

  • Molecular FormulaC34H36N5O2
  • Average mass546.681 Da
  • Monoisotopic mass546.286377 Da
  • ChemSpider ID8432379

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,10-Dihydroxy-11-[(2R)-1-methyl-2-pyrrolidinyl]-2-[(1S)-2-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl]-3-vinyl-7,12-dihydro-6H-indolo[2,3-a]chinolizin-5-ium [German] [ACD/IUPAC Name]
1,10-Dihydroxy-11-[(2R)-1-methyl-2-pyrrolidinyl]-2-[(1S)-2-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl]-3-vinyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium [ACD/IUPAC Name]
1,10-Dihydroxy-11-[(2R)-1-méthyl-2-pyrrolidinyl]-2-[(1S)-2-méthyl-2,3,4,9-tétrahydro-1H-β-carbolin-1-yl]-3-vinyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium [French] [ACD/IUPAC Name]
6H-Indolo[2,3-a]quinolizin-5-ium, 3-ethenyl-7,12-dihydro-1,10-dihydroxy-11-[(2R)-1-methyl-2-pyrrolidinyl]-2-[(1S)-2,3,4,9-tetrahydro-2-methyl-1H-pyrido[3,4-b]indol-1-yl]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.28
Polar Surface Area: 82 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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