ChemSpider 2D Image | (4E)-5-Oxo-1-phenyl-4-(2-thienylmethylene)-4,5-dihydro-1H-imidazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside | C28H28N2O10S2

(4E)-5-Oxo-1-phenyl-4-(2-thienylmethylene)-4,5-dihydro-1H-imidazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-glucopyranoside

  • Molecular FormulaC28H28N2O10S2
  • Average mass616.659 Da
  • Monoisotopic mass616.118530 Da
  • ChemSpider ID4947666

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4E)-5-Oxo-1-phenyl-4-(2-thienylmethylen)-4,5-dihydro-1H-imidazol-2-yl-2,3,4,6-tetra-O-acetyl-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(4E)-5-Oxo-1-phenyl-4-(2-thienylmethylene)-4,5-dihydro-1H-imidazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-glucopyranoside [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-1-thio-β-D-glucopyranoside de (4E)-5-oxo-1-phényl-4-(2-thiénylméthylène)-4,5-dihydro-1H-imidazol-2-yle [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 3,5-dihydro-3-phenyl-2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thio]-5-(2-thienylmethylene)-, (5E)- [ACD/Index Name]
151731-16-7 [RN]
3-Phenyl-5-(2-thienylmethylene)-2-(2,3,4,6-tetra-O-acetylglucopyranosyl)-2-thiohydantoin
4H-Imidazol-4-one, 3,5-dihydro-3-phenyl-2-((2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thio)-5-(2-thienylmethylene)-
Ptmtgth

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

Density: 1.4±0.1 g/cm3
Boiling Point: 688.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 369.9±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 403.29
ACD/KOC (pH 5.5): 2550.95
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 403.29
ACD/KOC (pH 7.4): 2550.95
Polar Surface Area: 201 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 428.3±7.0 cm3

Click to predict properties on the Chemicalize site


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