ChemSpider 2D Image | (4Z)-4-(1,3-Benzodioxol-5-ylmethylene)-1-benzyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside | C32H32N2O12S

(4Z)-4-(1,3-Benzodioxol-5-ylmethylene)-1-benzyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-glucopyranoside

  • Molecular FormulaC32H32N2O12S
  • Average mass668.668 Da
  • Monoisotopic mass668.167603 Da
  • ChemSpider ID9942232
  • 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

(4Z)-4-(1,3-Benzodioxol-5-ylmethylen)-1-benzyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl-2,3,4,6-tetra-O-acetyl-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(4Z)-4-(1,3-Benzodioxol-5-ylmethylene)-1-benzyl-5-oxo-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 (4Z)-4-(1,3-benzodioxol-5-ylméthylène)-1-benzyl-5-oxo-4,5-dihydro-1H-imidazol-2-yle [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 5-(1,3-benzodioxol-5-ylmethylene)-3,5-dihydro-3-(phenylmethyl)-2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thio]-, (5Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.2±35.7 °C
Index of Refraction: 1.634
Molar Refractivity: 165.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 469.24
ACD/KOC (pH 5.5): 2843.07
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 469.24
ACD/KOC (pH 7.4): 2843.07
Polar Surface Area: 191 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 462.2±7.0 cm3

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