ChemSpider 2D Image | Conophylline quinone | C44H48N4O10

Conophylline quinone

  • Molecular FormulaC44H48N4O10
  • Average mass792.873 Da
  • Monoisotopic mass792.337036 Da
  • ChemSpider ID9236900

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1aS,1bS,6aS,7S,7aS,14bR,14cR,17aR,18bR,21aR,22aR)-1b,7a-Diéthyl-7-hydroxy-11,12-diméthoxy-13-oxo-1b,4,6a,7,7a,8,13,14c,15,16,17a,19,20,21a,22,22a-hexadécahydro-1aH,2H-indolo[2'',3'':7',8']pyrrolo[1'' ,2'',3'':1',8']quinoléino[2',3':4,5]furo[2,3-b]oxiréno[6,7]indolizino[1,8-fg]carbazole-3,9-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
2H,22H-Indolo[2'',3'':7',8']pyrrolo[1'',2'',3'':1',8']quino[2',3':4,5]furo[2,3-b]oxireno[6,7]indolizino[1,8-fg]carbazole-3,9-dicarboxylic acid, 1b,7a-diethyl-1a,1b,4,6a,7,7a,8,13,14c,15,16,17a,19,20,2 1a,22a-hexadecahydro-7-hydroxy-11,12-dimethoxy-13-oxo-, dimethyl ester, (1aS,1bS,6aS,7S,7aS,14bR,14cR,17aR,18bR,21aR,22aR)- [ACD/Index Name]
Conophylline quinone
Dimethyl (1aS,1bS,6aS,7S,7aS,14bR,14cR,17aR,18bR,21aR,22aR)-1b,7a-diethyl-7-hydroxy-11,12-dimethoxy-13-oxo-1b,4,6a,7,7a,8,13,14c,15,16,17a,19,20,21a,22,22a-hexadecahydro-1aH,2H-indolo[2'',3'':7',8']py rrolo[1'',2'',3'':1',8']quinolino[2',3':4,5]furo[2,3-b]oxireno[6,7]indolizino[1,8-fg]carbazole-3,9-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(1aS,1bS,6aS,7S,7aS,14bR,14cR,17aR,18bR,21aR,22aR)-1b,7a-diethyl-7-hydroxy-11,12-dimethoxy-13-oxo-1b,4,6a,7,7a,8,13,14c,15,16,17a,19,20,21a,22,22a-hexadecahydro-1aH,2H-indolo[2'',3'':7',8']py rrolo[1'',2'',3'':1',8']chinolino[2',3':4,5]furo[2,3-b]oxireno[6,7]indolizino[1,8-fg]carbazol-3,9-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.799
Molar Refractivity: 201.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 4.55
ACD/KOC (pH 7.4): 33.67
Polar Surface Area: 161 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 68.2±7.0 dyne/cm
Molar Volume: 471.7±7.0 cm3

Click to predict properties on the Chemicalize site


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