ChemSpider 2D Image | 3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl alpha-D-glucopyranoside | C21H24O10

3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl α-D-glucopyranoside

  • Molecular FormulaC21H24O10
  • Average mass436.409 Da
  • Monoisotopic mass436.136932 Da
  • ChemSpider ID35293833

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[4-(α-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl α-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside de 3,5-dihydroxy-4-[3-(4-hydroxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]
[4192-90-9] [RN]
1-[2,6-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
4192-90-9 [RN]
MFCD16621247
Trilobatin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 787.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 277.1±26.4 °C
Index of Refraction: 1.686
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 79.45
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.40
Polar Surface Area: 177 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 280.5±3.0 cm3

Click to predict properties on the Chemicalize site


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