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ChemSpider 2D Image | 4-deoxyphloridzin | C21H24O9

4-deoxyphloridzin

  • Molecular FormulaC21H24O9
  • Average mass420.410 Da
  • Monoisotopic mass420.142029 Da
  • ChemSpider ID29273169
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-(2,4-Dihydroxy-6-[{(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)-3-phenylpropan-1-one [ACD/IUPAC Name]
1-Propanone, 1-[2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-phenyl- [ACD/Index Name]
28522306 [Beilstein]
3,5-Dihydroxy-2-(3-phenylpropanoyl)phenyl β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-(3-phenylpropanoyl)phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-deoxyphloridzin
T6OTJ BOR CQ EQ BV2R&& CQ DQ EQ F1Q &&β-D-Gluco Form [WLN]
β-D-Glucopyranoside de 3,5-dihydroxy-2-(3-phénylpropanoyl)phényle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 714.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 251.7±26.4 °C
Index of Refraction: 1.666
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 4.99
ACD/KOC (pH 5.5): 108.90
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 27.65
Polar Surface Area: 157 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 282.1±3.0 cm3

Click to predict properties on the Chemicalize site






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