ChemSpider 2D Image | 4-Methyl-2-oxo-2H-chromen-7-yl 5-thio-D-xylopyranoside | C15H16O6S

4-Methyl-2-oxo-2H-chromen-7-yl 5-thio-D-xylopyranoside

  • Molecular FormulaC15H16O6S
  • Average mass324.349 Da
  • Monoisotopic mass324.066772 Da
  • ChemSpider ID78317108

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 4-methyl-7-[(5-thio-D-xylopyranosyl)oxy]- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl 5-thio-D-xylopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-5-thio-D-xylopyranosid [German] [ACD/IUPAC Name]
5-Thio-D-xylopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
137215-12-4 [RN]
Odiparcil [INN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 567.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 297.0±30.1 °C
Index of Refraction: 1.684
Molar Refractivity: 80.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.44
ACD/KOC (pH 5.5): 84.32
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.44
ACD/KOC (pH 7.4): 84.32
Polar Surface Area: 122 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 76.3±3.0 dyne/cm
Molar Volume: 212.0±3.0 cm3

Click to predict properties on the Chemicalize site


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