ChemSpider 2D Image | 5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-beta-D-threo-hexopyranoside | C25H26O12

5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-β-D-threo-hexopyranoside

  • Molecular FormulaC25H26O12
  • Average mass518.467 Da
  • Monoisotopic mass518.142456 Da
  • ChemSpider ID24844092

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[(6-O-acetyl-β-D-threo-hexopyranosyl)oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-β-D-threo-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-acetyl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-β-D-thréo-hexopyranoside de 5-hydroxy-6-méthoxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
LANTANOSIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 759.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 257.0±26.4 °C
Index of Refraction: 1.627
Molar Refractivity: 124.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.59
ACD/KOC (pH 5.5): 111.63
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 170 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 351.8±3.0 cm3

Click to predict properties on the Chemicalize site


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