ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]-beta-D-glucopyranoside | C29H34O14

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]-β-D-glucopyranoside

  • Molecular FormulaC29H34O14
  • Average mass606.572 Da
  • Monoisotopic mass606.194885 Da
  • ChemSpider ID9810522

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[6-O-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(1R,2R,3R,4S,5R)-2,3,4-Trihydroxy-5-méthylcyclohexyl]-β-D-glucopyranoside de 5-hydroxy-2-(4-hydroxy-3-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: 1.6±0.1 g/cm3
Boiling Point: 884.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 289.3±27.8 °C
Index of Refraction: 1.705
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.67
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.55
Polar Surface Area: 225 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 97.1±5.0 dyne/cm
Molar Volume: 372.0±5.0 cm3

Click to predict properties on the Chemicalize site


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