ChemSpider 2D Image | 3-Hydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl 2,3-bis-O-(methoxyacetyl)-beta-D-glucopyranoside | C28H34O13

3-Hydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl 2,3-bis-O-(methoxyacetyl)-β-D-glucopyranoside

  • Molecular FormulaC28H34O13
  • Average mass578.562 Da
  • Monoisotopic mass578.199951 Da
  • ChemSpider ID8135511

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[2-[[2,3-bis-O-(2-methoxyacetyl)-β-D-glucopyranosyl]oxy]-6-hydroxyphenyl]-3-(4-methoxyphenyl)- [ACD/Index Name]
2,3-Bis-O-(2-méthoxyacétyl)-β-D-glucopyranoside de 3-hydroxy-2-[3-(4-méthoxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]
3-Hydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl 2,3-bis-O-(methoxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl-2,3-bis-O-(methoxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 729.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 235.1±26.4 °C
Index of Refraction: 1.588
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.38
ACD/KOC (pH 5.5): 565.42
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 25.42
ACD/KOC (pH 7.4): 291.09
Polar Surface Area: 177 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 417.6±5.0 cm3

Click to predict properties on the Chemicalize site


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