ChemSpider 2D Image | 3-{[5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}propyl 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranoside | C28H28O11

3-{[5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}propyl 4,6-di-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranoside

  • Molecular FormulaC28H28O11
  • Average mass540.515 Da
  • Monoisotopic mass540.163147 Da
  • ChemSpider ID26381154

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-{[5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}propyl 4,6-di-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranoside [ACD/IUPAC Name]
3-{[5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}propyl-4,6-di-O-acetyl-2,3-didesoxy-α-D-erythro-hex-2-enopyranosid [German] [ACD/IUPAC Name]
4,6-Di-O-acétyl-2,3-didésoxy-α-D-érythro-hex-2-énopyranoside de 3-{[5-hydroxy-3-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yl]oxy}propyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[3-[(4,6-di-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranosyl)oxy]propoxy]-5-hydroxy-3-(4-hydroxyphenyl)- [ACD/Index 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: 736.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 243.3±26.4 °C
Index of Refraction: 1.627
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 344.36
ACD/KOC (pH 5.5): 2196.70
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 33.06
ACD/KOC (pH 7.4): 210.91
Polar Surface Area: 147 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 380.5±5.0 cm3

Click to predict properties on the Chemicalize site


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