ChemSpider 2D Image | 4-[(2R)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl 2-O-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-L-glucopyranoside | C26H30O13

4-[(2R)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl 2-O-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-L-glucopyranoside

  • Molecular FormulaC26H30O13
  • Average mass550.509 Da
  • Monoisotopic mass550.168640 Da
  • ChemSpider ID82966022

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-O-[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-L-glucopyranoside de 4-[(2R)-7-hydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]
4-[(2R)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl 2-O-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-L-glucopyranoside [ACD/IUPAC Name]
4-[(2R)-7-Hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl-2-O-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-L-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-[4-[[2-O-[(2R,3S,4S)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-L-glucopyranosyl]oxy]phenyl]-, (2R)- [ACD/Index Name]
(2R)-2-[4-[(2R,3S,4R,5R,6S)-3-[(2R,3S,4S)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
199796-12-8 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 904.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.8±3.0 kJ/mol
Flash Point: 304.4±27.8 °C
Index of Refraction: 1.704
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.41
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.34
Polar Surface Area: 205 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 98.4±5.0 dyne/cm
Molar Volume: 333.6±5.0 cm3

Click to predict properties on the Chemicalize site


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