In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 22 | No |
Popular Name: 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one 2-(3,4-Dihydroxyphenyl)-3,5,7-tr…
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CAS Number: 215257-15-1
3,3',4',5,7-PENTAHYDROXYFLAVANONE
3,5,7,3',4'-Pentahydroxyflavanone [480-18-2]; ((+/-) Txifolin)
3,5,7,3',4'-Pentahydroxyflavanone [480-18-2]; (2,3-Dihydroquercetin; Taxifolin)
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.71 | -3.82 | -13.49 | 5 | 7 | 0 | 127 | 304.254 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.71 | -2.83 | -52 | 4 | 7 | -1 | 130 | 303.246 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
SOLUBILITY | .; Clear yellow solution in 20 mg/ml of Ethanol | Indofine |
APPEARANCE | .; White to off white powder | Indofine |
M.P. | 230-233 C (dec) | Indofine |
MP | 230-233o C | Indofine |
Patent Database Links | EP0774249; EP1834636; EP1925311; US2007212393; US2007248700; WO2006083779; WO2007109600 | ChEBI |
UniProt Database Links | FOMT2_WHEAT; U73B2_ARATH | ChEBI |
SOLUBILITY | Soluble in Ethanol | Indofine |