ChemSpider 2D Image | (6,8-Dihydroxy-1-oxo-1H-isochromen-3-yl)methyl 4-O-methylhexopyranoside | C17H20O10

(6,8-Dihydroxy-1-oxo-1H-isochromen-3-yl)methyl 4-O-methylhexopyranoside

  • Molecular FormulaC17H20O10
  • Average mass384.335 Da
  • Monoisotopic mass384.105652 Da
  • ChemSpider ID24624155

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6,8-Dihydroxy-1-oxo-1H-isochromen-3-yl)methyl 4-O-methylhexopyranoside [ACD/IUPAC Name]
(6,8-Dihydroxy-1-oxo-1H-isochromen-3-yl)methyl-4-O-methylhexopyranosid [German] [ACD/IUPAC Name]
1H-2-Benzopyran-1-one, 6,8-dihydroxy-3-[[(4-O-methylhexopyranosyl)oxy]methyl]- [ACD/Index Name]
4-O-Méthylhexopyranoside de (6,8-dihydroxy-1-oxo-1H-isochromén-3-yl)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 708.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 258.8±26.4 °C
Index of Refraction: 1.667
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.20
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 38.75
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.47
Polar Surface Area: 155 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 89.1±5.0 dyne/cm
Molar Volume: 236.1±5.0 cm3

Click to predict properties on the Chemicalize site


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