ChemSpider 2D Image | (E)-Meleagrin | C23H23N5O4

(E)-Meleagrin

  • Molecular FormulaC23H23N5O4
  • Average mass433.460 Da
  • Monoisotopic mass433.175018 Da
  • ChemSpider ID23510990

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(E)-Meleagrin
(3E,7aR,12aS)-6-Hydroxy-3-(1H-imidazol-4-ylmethylen)-12-methoxy-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indol-2,5(3H)-dion [German] [ACD/IUPAC Name]
(3E,7aR,12aS)-6-Hydroxy-3-(1H-imidazol-4-ylmethylene)-12-methoxy-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione [ACD/IUPAC Name]
(3E,7aR,12aS)-6-Hydroxy-3-(1H-imidazol-4-ylméthylène)-12-méthoxy-7a-(2-méthyl-3-butén-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione [French] [ACD/IUPAC Name]
1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, 7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-6-hydroxy-3-(1H-imidazol-4-ylmethylene)-12-methoxy-, (3E,7aR,12aS)- [ACD/Index Name]
5780K492K3
71751-77-4 [RN]
Meleagrin [Wiki]
(1S,9R,14E)-11-Hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
(7AR,12aS,E)-3-((1H-imidazol-5-yl)methylene)-6-hydroxy-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydroimidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(1H,3H)-dione
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.718
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.57
ACD/KOC (pH 5.5): 145.17
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 3.44
ACD/KOC (pH 7.4): 65.89
Polar Surface Area: 111 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 79.7±5.0 dyne/cm
Molar Volume: 294.4±5.0 cm3

Click to predict properties on the Chemicalize site


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