ChemSpider 2D Image | 3,5-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl beta-D-threo-hexopyranoside | C27H30O11

3,5-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl β-D-threo-hexopyranoside

  • Molecular FormulaC27H30O11
  • Average mass530.521 Da
  • Monoisotopic mass530.178833 Da
  • ChemSpider ID24844731

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

3,5-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-threo-hexopyranosyloxy)-3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
β-D-thréo-Hexopyranoside de 3,5-dihydroxy-2-(4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 801.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 267.8±27.8 °C
Index of Refraction: 1.664
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.07
ACD/KOC (pH 5.5): 195.00
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.13
Polar Surface Area: 175 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 359.5±3.0 cm3

Click to predict properties on the Chemicalize site


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