ChemSpider 2D Image | 2-(7-Oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)-2-propanyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C25H32O13

2-(7-Oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)-2-propanyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC25H32O13
  • Average mass540.514 Da
  • Monoisotopic mass540.184265 Da
  • ChemSpider ID29814857

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

2-(7-Oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)-2-propanyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(7-Oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)-2-propanyl-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 2-(7-oxo-2,3-dihydro-7H-furo[3,2-g]chromén-2-yl)-2-propanyle [French] [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-[1-methyl-1-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]ethyl]- [ACD/Index 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: 816.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 275.1±27.8 °C
Index of Refraction: 1.665
Molar Refractivity: 126.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.00
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.00
Polar Surface Area: 194 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 86.4±5.0 dyne/cm
Molar Volume: 339.4±5.0 cm3

Click to predict properties on the Chemicalize site


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