ChemSpider 2D Image | (3E)-2,6,12-Trihydroxy-3-(1H-imidazol-5-ylmethylene)-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-3H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indol-5-one | C22H21N5O4

(3E)-2,6,12-Trihydroxy-3-(1H-imidazol-5-ylmethylene)-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-3H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indol-5-one

  • Molecular FormulaC22H21N5O4
  • Average mass419.433 Da
  • Monoisotopic mass419.159363 Da
  • ChemSpider ID58837808
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-2,6,12-Trihydroxy-3-(1H-imidazol-5-ylmethylen)-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-3H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indol-5-on [German] [ACD/IUPAC Name]
(3E)-2,6,12-Trihydroxy-3-(1H-imidazol-5-ylmethylene)-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-3H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indol-5-one [ACD/IUPAC Name]
(3E)-2,6,12-Trihydroxy-3-(1H-imidazol-5-ylméthylène)-7a-(2-méthyl-3-butén-2-yl)-7a,12-dihydro-3H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indol-5-one [French] [ACD/IUPAC Name]
3H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indol-5-one, 7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-2,6,12-trihydroxy-3-(1H-imidazol-5-ylmethylene)-, (3E)- [ACD/Index Name]
glandicoline B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 803.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 439.5±37.1 °C
Index of Refraction: 1.731
Molar Refractivity: 112.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 84.88
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 24.73
Polar Surface Area: 125 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 282.2±7.0 cm3

Click to predict properties on the Chemicalize site






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