ChemSpider 2D Image | Kaempferol-3-O-alpha-L-(4''-E-p-coumaroyl)-rhamnoside | C30H26O12

Kaempferol-3-O-α-L-(4''-E-p-coumaroyl)-rhamnoside

  • Molecular FormulaC30H26O12
  • Average mass578.520 Da
  • Monoisotopic mass578.142456 Da
  • ChemSpider ID32055222

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Kaempferol-3-O-α-L-(4''-E-p-coumaroyl)-rhamnoside
[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
166321-98-8 [RN]
4''-O-(4-Hydroxycinnaamoyl)afzelin
4''-O-trans-p-Coumaroylafzelin
623927-14-0 [RN]
More...
  • Miscellaneous

    • Compound Source:

      Isolated from a plant Susan Richardson [Structure found in DOI: 10.1590/S0100-40422008000600038]
      Qualea grandiflora (Vochysiaceae) Susan Richardson [Structure found in DOI: 10.1590/S0100-40422008000600038]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 882.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.4±3.0 kJ/mol
Flash Point: 292.2±27.8 °C
Index of Refraction: 1.740
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 77.12
ACD/KOC (pH 5.5): 723.75
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 2.51
ACD/KOC (pH 7.4): 23.51
Polar Surface Area: 192 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 97.2±5.0 dyne/cm
Molar Volume: 355.2±5.0 cm3

Click to predict properties on the Chemicalize site


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