ChemSpider 2D Image | 8-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 6-O-(6-deoxy-beta-D-allopyranosyl)-beta-D-allopyranoside | C29H34O15

8-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 6-O-(6-deoxy-β-D-allopyranosyl)-β-D-allopyranoside

  • Molecular FormulaC29H34O15
  • Average mass622.571 Da
  • Monoisotopic mass622.189758 Da
  • ChemSpider ID10145706

  • 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, 6-[[6-O-(6-deoxy-β-D-allopyranosyl)-β-D-allopyranosyl]oxy]-8-hydroxy-7-methoxy-2-(4-methoxyphenyl)- [ACD/Index Name]
6-O-(6-Désoxy-β-D-allopyranosyl)-β-D-allopyranoside de 8-hydroxy-7-méthoxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-6-yle [French] [ACD/IUPAC Name]
8-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 6-O-(6-deoxy-β-D-allopyranosyl)-β-D-allopyranoside [ACD/IUPAC Name]
8-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl-6-O-(6-desoxy-β-D-allopyranosyl)-β-D-allopyranosid [German] [ACD/IUPAC Name]
Dicliripariside C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 896.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 292.4±27.8 °C
Index of Refraction: 1.683
Molar Refractivity: 146.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.39
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.80
Polar Surface Area: 223 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 90.1±5.0 dyne/cm
Molar Volume: 386.6±5.0 cm3

Click to predict properties on the Chemicalize site


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