ChemSpider 2D Image | 2-(2,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-L-mannopyranosyl)-beta-D-glucopyranoside | C27H32O15

2-(2,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC27H32O15
  • Average mass596.534 Da
  • Monoisotopic mass596.174133 Da
  • ChemSpider ID419384
  • defined stereocentres - 9 of 11 defined stereocentres


More details:






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

2-(2,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(2,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-(6-desoxy-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(2,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy- [ACD/Index Name]
6-O-(6-Désoxy-L-mannopyranosyl)-β-D-glucopyranoside de 2-(2,4-dihydroxyphényl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
(2',5,5',7-Tetrahydroxy-flavanone-7-O-rutinoside)
153286-43-2 [RN]

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

AIDS089293 [DBID]
AIDS-089293 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 960.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.6±3.0 kJ/mol
Flash Point: 318.4±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.49
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.70
Polar Surface Area: 245 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 111.1±5.0 dyne/cm
Molar Volume: 344.6±5.0 cm3

Click to predict properties on the Chemicalize site






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