ChemSpider 2D Image | 1,3,6-Trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl 6-O-beta-D-ribofuranosyl-beta-D-glucopyranoside | C25H28O16

1,3,6-Trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl 6-O-β-D-ribofuranosyl-β-D-glucopyranoside

  • Molecular FormulaC25H28O16
  • Average mass584.480 Da
  • Monoisotopic mass584.137756 Da
  • ChemSpider ID8850159

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1,3,6-Trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl 6-O-β-D-ribofuranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
1,3,6-Trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl-6-O-β-D-ribofuranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Ribofuranosyl-β-D-glucopyranoside de 1,3,6-trihydroxy-7-méthoxy-9-oxo-9H-xanthén-2-yle [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2-[(6-O-β-D-ribofuranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 970.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.1±3.0 kJ/mol
Flash Point: 325.7±27.8 °C
Index of Refraction: 1.756
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 125.9±5.0 dyne/cm
Molar Volume: 316.3±5.0 cm3

Click to predict properties on the Chemicalize site


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