ChemSpider 2D Image | 4-METHYLUMBELLIFERYL A-L-IDOPYRANOSIDE | C16H18O8

4-METHYLUMBELLIFERYL A-L-IDOPYRANOSIDE

  • Molecular FormulaC16H18O8
  • Average mass338.309 Da
  • Monoisotopic mass338.100159 Da
  • ChemSpider ID30783153
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 7-(α-L-idopyranosyloxy)-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl α-L-idopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-α-L-idopyranosid [German] [ACD/IUPAC Name]
4-METHYLUMBELLIFERYL A-L-IDOPYRANOSIDE
66901-41-5 [RN]
α-L-Idopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
[66901-41-5]
4-Methyl-2-oxo-2H-chromen-7-ylhexopyranoside
4-Methyl-7-(((2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one
4-methylcoumarin-7-yl ??-L-idopyranoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 626.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 233.9±25.0 °C
Index of Refraction: 1.641
Molar Refractivity: 80.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.52
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.52
Polar Surface Area: 126 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 73.1±3.0 dyne/cm
Molar Volume: 222.2±3.0 cm3

Click to predict properties on the Chemicalize site






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