ChemSpider 2D Image | 3,7-Bis[(6-deoxy-beta-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-4-oxo-4H-chromen-5-olate | C27H29O15

3,7-Bis[(6-deoxy-β-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-4-oxo-4H-chromen-5-olate

  • Molecular FormulaC27H29O15
  • Average mass593.511 Da
  • Monoisotopic mass593.151184 Da
  • ChemSpider ID128920689

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3,7-Bis[(6-deoxy-β-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-4-oxo-4H-chromen-5-olate [ACD/IUPAC Name]
3,7-Bis[(6-desoxy-β-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-4-oxo-4H-chromen-5-olat [German] [ACD/IUPAC Name]
3,7-Bis[(6-désoxy-β-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphényl)-4-oxo-4H-chromén-5-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,7-bis[(6-deoxy-β-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-, ion(1-) [ACD/Index Name]
quercetin-3-O-rhamnoside-7-O-rhamnoside
quercetin-3-rhamnoside-7-rhamnoside

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

Density:
Boiling Point: 949.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 315.5±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.55
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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