ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[5-O-(carboxyacetyl)-beta-D-ribofuranosyl]-beta-D-glucopyranoside | C29H30O17

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[5-O-(carboxyacetyl)-β-D-ribofuranosyl]-β-D-glucopyranoside

  • Molecular FormulaC29H30O17
  • Average mass650.538 Da
  • Monoisotopic mass650.148315 Da
  • ChemSpider ID59696160

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[5-O-(carboxyacetyl)-β-D-ribofuranosyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-[5-O-(carboxyacetyl)-β-D-ribofuranosyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[5-O-(2-Carboxyacétyl)-β-D-ribofuranosyl]-β-D-glucopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-[5-O-(2-carboxyacetyl)-β-D-ribofuranosyl]- [ACD/Index Name]
3-{[(2R,3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}oxolan-2-yl]methoxy}-3-oxopropanoic acid
Apigenin 7-O-(6''-malonyl-apiosyl-glucoside)

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1023.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.6±3.0 kJ/mol
Flash Point: 333.9±27.8 °C
Index of Refraction: 1.720
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 110.0±5.0 dyne/cm
Molar Volume: 371.2±5.0 cm3

Click to predict properties on the Chemicalize site


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