ChemSpider 2D Image | 5'-Deoxy-5'-({(2E,4E)-5-[(1S,1'S,1''S,1'''S,2S,2'S,2''S,2'''S)-2'''-{(E)-2-[(1R,2R)-2-methylcyclopropyl]vinyl}-1,1':2',1'':2'',1'''-quater(cyclopropan)-2-yl]-2,4-pentadienoyl}amino)-5,6-dihydrouridine | C32H43N3O6

5'-Deoxy-5'-({(2E,4E)-5-[(1S,1'S,1''S,1'''S,2S,2'S,2''S,2'''S)-2'''-{(E)-2-[(1R,2R)-2-methylcyclopropyl]vinyl}-1,1':2',1'':2'',1'''-quater(cyclopropan)-2-yl]-2,4-pentadienoyl}amino)-5,6-dihydrouridine

  • Molecular FormulaC32H43N3O6
  • Average mass565.700 Da
  • Monoisotopic mass565.315186 Da
  • ChemSpider ID59701406

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

5,6-Dihydrouridine, 5'-deoxy-5'-[[(2E,4E)-5-[(1S,1'S,1''S,1'''S,2S,2'S,2''S,2'''S)-2'''-[(E)-2-[(1R,2R)-2-methylcyclopropyl]ethenyl][1,1':2',1'':2'',1'''-quatercyclopropan]-2-yl]-1-oxo-2,4-pentadien-1 -yl]amino]- [ACD/Index Name]
5'-Deoxy-5'-({(2E,4E)-5-[(1S,1'S,1''S,1'''S,2S,2'S,2''S,2'''S)-2'''-{(E)-2-[(1R,2R)-2-methylcyclopropyl]vinyl}-1,1':2',1'':2'',1'''-quater(cyclopropan)-2-yl]-2,4-pentadienoyl}amino)-5,6-dihydrouridine [ACD/IUPAC Name]
5'-Desoxy-5'-({(2E,4E)-5-[(1S,1'S,1''S,1'''S,2S,2'S,2''S,2'''S)-2'''-{(E)-2-[(1R,2R)-2-methylcyclopropyl]vinyl}-1,1':2',1'':2'',1'''-quater(cyclopropan)-2-yl]-2,4-pentadienoyl}amino)-5,6-dihydrouridin [German] [ACD/IUPAC Name]
5'-Désoxy-5'-({(2E,4E)-5-[(1S,1'S,1''S,1'''S,2S,2'S,2''S,2'''S)-2'''-{(E)-2-[(1R,2R)-2-méthylcyclopropyl]vinyl}-1,1':2',1'':2'',1'''-quater(cyclopropan)-2-yl]-2,4-pentadienoyl}amino)-5,6-dihydrouridin e [French] [ACD/IUPAC Name]
Antibiotic FR 900848

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: 1.750
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.56
ACD/KOC (pH 5.5): 552.31
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.56
ACD/KOC (pH 7.4): 552.30
Polar Surface Area: 128 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 91.5±3.0 dyne/cm
Molar Volume: 385.6±3.0 cm3

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