ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2E)-2-butenoyl]hexopyranoside | C26H26O12

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2E)-2-butenoyl]hexopyranoside

  • Molecular FormulaC26H26O12
  • Average mass530.477 Da
  • Monoisotopic mass530.142456 Da
  • ChemSpider ID22905582

  • Double-bond stereo - Double-bond stereo

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[6-O-[(2E)-1-oxo-2-buten-1-yl]hexopyranosyl]oxy]- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2E)-2-butenoyl]hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-[(2E)-2-butenoyl]hexopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-2-Butenoyl]hexopyranoside de 5-hydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
{3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yloxy]-2H-3,4,5,6-tetrahydropyran-2-yl}methyl (2E)but-2-enoate
Thermopsoside, crotonoyl

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

Density: 1.5±0.1 g/cm3
Boiling Point: 825.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 278.8±27.8 °C
Index of Refraction: 1.653
Molar Refractivity: 129.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.21
ACD/KOC (pH 5.5): 171.65
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.92
Polar Surface Area: 181 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 352.8±3.0 cm3

Click to predict properties on the Chemicalize site


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