ChemSpider 2D Image | [(2R)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl beta-L-glucopyranoside | C22H28O11

[(2R)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl β-L-glucopyranoside

  • Molecular FormulaC22H28O11
  • Average mass468.451 Da
  • Monoisotopic mass468.163147 Da
  • ChemSpider ID50644888

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2R)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl β-L-glucopyranoside [ACD/IUPAC Name]
[(2R)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
5H-Furo[3,2-g][1]benzopyran-5-one, 7-[(β-L-glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (2R)- [ACD/Index Name]
β-L-Glucopyranoside de [(2R)-2-(2-hydroxy-2-propanyl)-4-méthoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromén-7-yl]méthyle [French] [ACD/IUPAC Name]
80681-45-4 [RN]
Prim-O-glucosylcimifugin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 736.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 255.0±26.4 °C
Index of Refraction: 1.648
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.17
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.17
Polar Surface Area: 164 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 304.5±5.0 cm3

Click to predict properties on the Chemicalize site


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