ChemSpider 2D Image | 4-(Chloromethyl)-2-oxo-2H-chromen-7-yl 5-thio-beta-D-xylopyranoside | C15H15ClO6S

4-(Chloromethyl)-2-oxo-2H-chromen-7-yl 5-thio-β-D-xylopyranoside

  • Molecular FormulaC15H15ClO6S
  • Average mass358.794 Da
  • Monoisotopic mass358.027771 Da
  • ChemSpider ID32698229

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 4-(chloromethyl)-7-[(5-thio-β-D-xylopyranosyl)oxy]- [ACD/Index Name]
4-(Chlormethyl)-2-oxo-2H-chromen-7-yl-5-thio-β-D-xylopyranosid [German] [ACD/IUPAC Name]
4-(Chloromethyl)-2-oxo-2H-chromen-7-yl 5-thio-β-D-xylopyranoside [ACD/IUPAC Name]
5-Thio-β-D-xylopyranoside de 4-(chlorométhyl)-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
137214-72-3 [RN]
Iliparcil

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

Density: 1.6±0.1 g/cm3
Boiling Point: 592.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 311.8±30.1 °C
Index of Refraction: 1.685
Molar Refractivity: 85.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.40
ACD/KOC (pH 5.5): 116.32
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.40
ACD/KOC (pH 7.4): 116.32
Polar Surface Area: 122 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 77.3±3.0 dyne/cm
Molar Volume: 224.5±3.0 cm3

Click to predict properties on the Chemicalize site


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