ChemSpider 2D Image | roquefortine L | C22H21N5O3

roquefortine L

  • Molecular FormulaC22H21N5O3
  • Average mass403.434 Da
  • Monoisotopic mass403.164429 Da
  • ChemSpider ID58828713
  • 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

(3E,10bR,11aS) 6-Oxyde de 3-(1H-imidazol-5-ylméthylène)-10b-(2-méthyl-3-butén-2-yl)-11,11a-dihydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,10bH)-dione [French] [ACD/IUPAC Name]
(3E,10bR,11aS)-3-(1H-Imidazol-5-ylmethylen)-10b-(2-methyl-3-buten-2-yl)-11,11a-dihydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-1,4(3H,10bH)-dion-6-oxid [German] [ACD/IUPAC Name]
(3E,10bR,11aS)-3-(1H-Imidazol-5-ylmethylene)-10b-(2-methyl-3-buten-2-yl)-11,11a-dihydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,10bH)-dione 6-oxide [ACD/IUPAC Name]
2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,10bH)-dione, 10b-(1,1-dimethyl-2-propen-1-yl)-11,11a-dihydro-3-(1H-imidazol-5-ylmethylene)-, 6-oxide, (3E,10bR,11aS)- [ACD/Index Name]
roquefortine L

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 109.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.32
ACD/KOC (pH 5.5): 265.59
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.77
ACD/KOC (pH 7.4): 272.43
Polar Surface Area: 107 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 283.4±5.0 cm3

Click to predict properties on the Chemicalize site






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