ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(3E)-2,3,4,5-tetrahydroxy-6-{[(3E)-2,3,4,5,6-pentahydroxy-3-hexen-1-yl]oxy}-3-hexen-1-yl]oxy}-4H-chromen-4-one | C27H30O17

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(3E)-2,3,4,5-tetrahydroxy-6-{[(3E)-2,3,4,5,6-pentahydroxy-3-hexen-1-yl]oxy}-3-hexen-1-yl]oxy}-4H-chromen-4-one

  • Molecular FormulaC27H30O17
  • Average mass626.517 Da
  • Monoisotopic mass626.148315 Da
  • ChemSpider ID4590767

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(3E)-2,3,4,5-tetrahydroxy-6-{[(3E)-2,3,4,5,6-pentahydroxy-3-hexen-1-yl]oxy}-3-hexen-1-yl]oxy}-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(3E)-2,3,4,5-tetrahydroxy-6-{[(3E)-2,3,4,5,6-pentahydroxy-3-hexen-1-yl]oxy}-3-hexen-1-yl]oxy}-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-5,7-dihydroxy-3-{[(3E)-2,3,4,5-tétrahydroxy-6-{[(3E)-2,3,4,5,6-pentahydroxy-3-hexén-1-yl]oxy}-3-hexén-1-yl]oxy}-4H-chromén-4-one [French] [ACD/IUPAC Name]
72746-38-4 [RN]
Heliosin
Quercetin 3-digalactoside

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1208.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 188.0±3.0 kJ/mol
Flash Point: 392.8±27.8 °C
Index of Refraction: 1.798
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.46
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.87
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 308 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 145.6±5.0 dyne/cm
Molar Volume: 333.9±5.0 cm3

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