ChemSpider 2D Image | 2,5-Dihydroxy-2-methyl-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-{[(4S)-4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-beta-D-glucopyranoside | C26H34O12

2,5-Dihydroxy-2-methyl-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-{[(4S)-4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-β-D-glucopyranoside

  • Molecular FormulaC26H34O12
  • Average mass538.541 Da
  • Monoisotopic mass538.205017 Da
  • ChemSpider ID8432190

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

2,5-Dihydroxy-2-methyl-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-{[(4S)-4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-β-D-glucopyranoside [ACD/IUPAC Name]
2,5-Dihydroxy-2-methyl-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-{[(4S)-4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-2,5-dihydroxy-7-[[6-O-[[(4S)-4-(1-hydroxy-1-methylethyl)-1-cyclohexen-1-yl]carbonyl]-β-D-glucopyranosyl]oxy]-2-methyl- [ACD/Index Name]
6-O-{[(4S)-4-(2-Hydroxy-2-propanyl)-1-cyclohexén-1-yl]carbonyl}-β-D-glucopyranoside de 2,5-dihydroxy-2-méthyl-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 810.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 270.0±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 129.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.94
ACD/KOC (pH 5.5): 108.35
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 36.71
Polar Surface Area: 192 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 73.8±3.0 dyne/cm
Molar Volume: 364.8±3.0 cm3

Click to predict properties on the Chemicalize site


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