ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-alpha-L-allopyranoside | C23H22O10

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-α-L-allopyranoside

  • Molecular FormulaC23H22O10
  • Average mass458.415 Da
  • Monoisotopic mass458.121307 Da
  • ChemSpider ID62574402

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-α-L-allopyranoside [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-acetyl-α-L-allopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(6-O-acetyl-α-L-allopyranosyl)oxy]-3-(4-hydroxyphenyl)- [ACD/Index Name]
6-O-Acétyl-α-L-allopyranoside de 3-(4-hydroxyphényl)-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: 716.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 249.5±26.4 °C
Index of Refraction: 1.654
Molar Refractivity: 111.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 68.75
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.57
ACD/KOC (pH 7.4): 68.37
Polar Surface Area: 152 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 72.8±3.0 dyne/cm
Molar Volume: 303.8±3.0 cm3

Click to predict properties on the Chemicalize site


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