Found 27 results

Search term: MF = 'C_{28}H_{34}O_{12}'
ChemSpider 2D Image | 3,5-Dihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-threo-hexopyranoside | C28H34O12

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

  • Molecular FormulaC28H34O12
  • Average mass562.562 Da
  • Monoisotopic mass562.205017 Da
  • ChemSpider ID24844758

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

3,5-Dihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-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-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)- [ACD/Index Name]
β-D-thréo-Hexopyranoside de 3,5-dihydroxy-8-(3-méthoxy-3-méthylbutyl)-2-(4-méthoxyphényl)-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: 1.4±0.1 g/cm3
Boiling Point: 808.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 265.7±27.8 °C
Index of Refraction: 1.638
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.62
ACD/KOC (pH 5.5): 141.96
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.57
Polar Surface Area: 185 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 389.0±3.0 cm3

Click to predict properties on the Chemicalize site


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