ChemSpider 2D Image | 3-(2-{2-[(4-Chlorophenyl)sulfanyl]ethoxy}-3-methoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]benzyl)-1-hydroxy-1-methylurea | C31H37ClN2O8S

3-(2-{2-[(4-Chlorophenyl)sulfanyl]ethoxy}-3-methoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]benzyl)-1-hydroxy-1-methylurea

  • Molecular FormulaC31H37ClN2O8S
  • Average mass633.152 Da
  • Monoisotopic mass632.195923 Da
  • ChemSpider ID8092929

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-(2-{2-[(4-Chlorophenyl)sulfanyl]ethoxy}-3-methoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]benzyl)-1-hydroxy-1-methylurea [ACD/IUPAC Name]
3-(2-{2-[(4-Chlorophényl)sulfanyl]éthoxy}-3-méthoxy-5-[(2R,5R)-5-(3,4,5-triméthoxyphényl)tétrahydro-2-furanyl]benzyl)-1-hydroxy-1-méthylurée [French] [ACD/IUPAC Name]
3-(2-{2-[(4-Chlorphenyl)sulfanyl]ethoxy}-3-methoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]benzyl)-1-hydroxy-1-methylharnstoff [German] [ACD/IUPAC Name]
Urea, N'-[[2-[2-[(4-chlorophenyl)thio]ethoxy]-3-methoxy-5-[(2R,5R)-tetrahydro-5-(3,4,5-trimethoxyphenyl)-2-furanyl]phenyl]methyl]-N-hydroxy-N-methyl- [ACD/Index Name]
193739-23-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 166.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1589.92
ACD/KOC (pH 5.5): 6809.67
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1573.08
ACD/KOC (pH 7.4): 6737.53
Polar Surface Area: 133 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 468.6±5.0 cm3

Click to predict properties on the Chemicalize site


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