ChemSpider 2D Image | 4-(5-Hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C29H34O16

4-(5-Hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID29415999

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 4-(5-hydroxy-3,7-diméthoxy-4-oxo-4H-chromén-2-yl)-2-méthoxyphényle [French] [ACD/IUPAC Name]
4-(5-Hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-(5-Hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-hydroxy-3,7-dimethoxy-2-[3-methoxy-4-[[2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]phenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 941.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.5±3.0 kJ/mol
Flash Point: 306.5±27.8 °C
Index of Refraction: 1.682
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.69
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 233 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 91.9±5.0 dyne/cm
Molar Volume: 391.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement