ChemSpider 2D Image | 3-{[(1R,2R,3S,4R,5R)-5-({[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}methyl)-2,3,4-trihydroxycyclohexyl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium | C31H29O14

3-{[(1R,2R,3S,4R,5R)-5-({[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}methyl)-2,3,4-trihydroxycyclohexyl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium

  • Molecular FormulaC31H29O14
  • Average mass625.553 Da
  • Monoisotopic mass625.155212 Da
  • ChemSpider ID9552027

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Benzopyrylium, 3-[[(1R,2R,3S,4R,5R)-5-[[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]-2,3,4-trihydroxycyclohexyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- [ACD/Index Name]
3-{[(1R,2R,3S,4R,5R)-5-({[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}methyl)-2,3,4-trihydroxycyclohexyl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium [ACD/IUPAC Name]
3-{[(1R,2R,3S,4R,5R)-5-({[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}methyl)-2,3,4-trihydroxycyclohexyl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium [German] [ACD/IUPAC Name]
3-{[(1R,2R,3S,4R,5R)-5-({[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]oxy}méthyl)-2,3,4-trihydroxycyclohexyl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphényl)chroménium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 251 Å2
Polarizability:
Surface Tension:
Molar Volume:

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