ChemSpider 2D Image | 3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-acetyl-beta-D-glucopyranoside | C23H26O11

3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC23H26O11
  • Average mass478.446 Da
  • Monoisotopic mass478.147522 Da
  • ChemSpider ID22913623

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[2-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl-6-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-β-D-glucopyranoside de 3,5-dihydroxy-2-[3-(4-hydroxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]
4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(6''-O-acetylglucoside)
Phloretin 2'-O-(6''-O-acetylglucoside)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 758.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 260.5±26.4 °C
Index of Refraction: 1.648
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.38
ACD/KOC (pH 5.5): 220.55
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 3.39
ACD/KOC (pH 7.4): 55.84
Polar Surface Area: 183 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 319.5±3.0 cm3

Click to predict properties on the Chemicalize site


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