ChemSpider 2D Image | (1S)-1,5-Anhydro-1-{2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxo-4H-chromen-8-yl}-D-glucitol | C20H26O9

(1S)-1,5-Anhydro-1-{2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxo-4H-chromen-8-yl}-D-glucitol

  • Molecular FormulaC20H26O9
  • Average mass410.415 Da
  • Monoisotopic mass410.157684 Da
  • ChemSpider ID67153898

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-{2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxo-4H-chromen-8-yl}-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxo-4H-chromen-8-yl}-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2-[(2R)-2-hydroxypropyl]-7-méthoxy-5-méthyl-4-oxo-4H-chromén-8-yl}-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxo-4H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
8-c-??-d-glucopyranosyl-2-[2-(r)-hydroxypropyl]-7-methoxy-5-methyl-4h-1-benzopyran-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 232.7±25.0 °C
Index of Refraction: 1.613
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.96
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.96
Polar Surface Area: 146 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 289.1±3.0 cm3

Click to predict properties on the Chemicalize site


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