ChemSpider 2D Image | Methyl (5S)-5-(4-chloro-3-{4-[(3S)-tetrahydro-3-furanyloxy]benzyl}phenyl)-beta-L-xylopyranoside | C23H27ClO7

Methyl (5S)-5-(4-chloro-3-{4-[(3S)-tetrahydro-3-furanyloxy]benzyl}phenyl)-β-L-xylopyranoside

  • Molecular FormulaC23H27ClO7
  • Average mass450.909 Da
  • Monoisotopic mass450.144531 Da
  • ChemSpider ID57564096

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S)-5-(4-Chloro-3-{4-[(3S)-tétrahydro-3-furanyloxy]benzyl}phényl)-β-L-xylopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl (5S)-5-(4-chloro-3-{4-[(3S)-tetrahydro-3-furanyloxy]benzyl}phenyl)-β-L-xylopyranoside [ACD/IUPAC Name]
Methyl-(5S)-5-(4-chlor-3-{4-[(3S)-tetrahydro-3-furanyloxy]benzyl}phenyl)-β-L-xylopyranosid [German] [ACD/IUPAC Name]
β-L-Xylopyranoside, methyl 5-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, (5S)- [ACD/Index Name]
1240076-01-0 [RN]
Methyl (5S)-5-{4-chloro-3-[(4-{[(3S)-oxolan-3-yl]oxy}phenyl)methyl]phenyl}-β-L-xylopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 631.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.9±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.56
ACD/KOC (pH 5.5): 1049.15
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.56
ACD/KOC (pH 7.4): 1049.14
Polar Surface Area: 98 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 322.0±5.0 cm3

Click to predict properties on the Chemicalize site


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