ChemSpider 2D Image | 4,8-Dihydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C26H30O16

4,8-Dihydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC26H30O16
  • Average mass598.507 Da
  • Monoisotopic mass598.153381 Da
  • ChemSpider ID4589390

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4,8-Dihydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
4,8-Dihydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 4,8-dihydroxy-6-méthoxy-9-oxo-9H-xanthén-1-yle [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 8-((6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-1,5-dihydroxy-3-methoxy-
9H-Xanthen-9-one, 8-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,5-dihydroxy-3-methoxy- [ACD/Index Name]
1,5,8-Trihydroxy-3-methoxyxanthone-8-O-β-D-glucopyranosyl(1-6)-O-β-D-glucopyranoside
143986-29-2 [RN]
9H-Xanthen-9-one,8-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-1,5-dihydroxy-3-methoxy-
Swertiapuniside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 982.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.9±3.0 kJ/mol
Flash Point: 326.8±27.8 °C
Index of Refraction: 1.739
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.22
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.91
ACD/LogD (pH 7.4): -2.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 118.2±5.0 dyne/cm
Molar Volume: 333.4±5.0 cm3

Click to predict properties on the Chemicalize site


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