ChemSpider 2D Image | Kaempferitrin | C27H30O14

Kaempferitrin

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID4588900

  • 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-α-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
482-38-2 [RN]
4H-1-Benzopyran-4-one, 3,7-bis[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})-4H-chromen-4-one
6-Désoxy-α-L-mannopyranoside de 3-[(6-désoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Kaemferitrin
Kaempferitrin [Wiki]
Kaempferol 3,7-bisrhamnoside
More...

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

73958 [DBID]
BRN 0073958 [DBID]
  • Miscellaneous

    • Chemical Class:

      A glycosyloxyflavone that is kaempferol attached to <stereo>alpha</stereo>-<stereo>L</stereo>-rhamnopyranosyl residues at positions 3 and 7 respectively via glycosidic linkages. It has been isolated from the aerial parts of <ital>Vicia faba</ital> and <ital>Lotus edulis</ital>. ChEBI CHEBI:68883
      A glycosyloxyflavone that is kaempferol attached to alpha-L-rhamnopyranosyl residues at positions 3 and 7 respectively via glycosidic linkages. It has been isolated ; from the aerial parts of Vicia f aba and Lotus edulis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68883
      A glycosyloxyflavone that is kaempferol attached to alpha-L-rhamnopyranosyl residues at positions 3 and 7 respectively via glycosidic linkages. It has been isolated from the aerial parts of Vicia fab a and Lotus edulis. ChEBI CHEBI:68883

    • Compound Source:

      Isolated from a plant Susan Richardson [Structure found in ChemSpider, confirmed from ChEMBL]
      Pterogyne nitens (Fabaceae) Susan Richardson [Structure found in ChemSpider, confirmed from ChEMBL]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 908.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 302.8±27.8 °C
Index of Refraction: 1.725
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.80
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 103.7±5.0 dyne/cm
Molar Volume: 340.2±5.0 cm3

Click to predict properties on the Chemicalize site


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