ChemSpider 2D Image | (4E)-1-(4-Chlorophenyl)-5-oxo-4-(2-thienylmethylene)-4,5-dihydro-1H-imidazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside | C28H27ClN2O10S2

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

  • Molecular FormulaC28H27ClN2O10S2
  • Average mass651.104 Da
  • Monoisotopic mass650.079590 Da
  • ChemSpider ID4947667

  • 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)-1-(4-Chlorophenyl)-5-oxo-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]
(4E)-1-(4-Chlorphenyl)-5-oxo-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]
2,3,4,6-Tétra-O-acétyl-1-thio-β-D-glucopyranoside de (4E)-1-(4-chlorophényl)-5-oxo-4-(2-thiénylméthylène)-4,5-dihydro-1H-imidazol-2-yle [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 3-(4-chlorophenyl)-3,5-dihydro-2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thio]-5-(2-thienylmethylene)-, (5E)- [ACD/Index Name]
151731-18-9 [RN]
3-(4-Chlorophenyl)-5-(2-thienylmethylene)-2-(2,3,4,6-tetra-O-acetylglucopyranosyl)-2-thiohydantoin
496053-68-0 [RN]
4H-Imidazol-4-one, 3-(4-chlorophenyl)-3,5-dihydro-2-((2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thio)-5-(2-thienylmethylene)-
Ctmght

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

Density: 1.5±0.1 g/cm3
Boiling Point: 715.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.5±35.7 °C
Index of Refraction: 1.647
Molar Refractivity: 159.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2611.80
ACD/KOC (pH 5.5): 9714.97
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2611.80
ACD/KOC (pH 7.4): 9714.97
Polar Surface Area: 201 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 437.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement