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Search term: OJNIAAPQTVLMGK (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-beta-D-allopyranosyl-beta-D-allopyranoside | C27H30O16

3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-β-D-allopyranosyl-β-D-allopyranoside

  • Molecular FormulaC27H30O16
  • Average mass610.518 Da
  • Monoisotopic mass610.153381 Da
  • ChemSpider ID4476067
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-β-D-allopyranosyl-β-D-allopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-β-D-allopyranosyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(6-O-β-D-allopyranosyl-β-D-allopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-O-β-D-Allopyranosyl-β-D-allopyranoside de 3,5-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Equisetrin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 979.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.6±3.0 kJ/mol
Flash Point: 324.3±27.8 °C
Index of Refraction: 1.764
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): -2.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 125.3±5.0 dyne/cm
Molar Volume: 334.6±5.0 cm3

Click to predict properties on the Chemicalize site






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