Chemical Properties of Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy (CAS 153-18-4)

Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy

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InChI
InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3
InChI Key
IKGXIBQEEMLURG-UHFFFAOYSA-N
Formula
C27H30O16
SMILES
CC1OC(OCC2OC(Oc3c(=O)c4c(O)cc(O)cc4oc3-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1O
Molecular Weight1
610.52
CAS
153-18-4
Other Names
  • 3-[[6-O-(6-deoxy-«alpha»-L-mannopyranosyl)-«beta»-D-glucopyranosyl]-oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one (rutin)
  • rutoside
Sources

Physical Properties

Property Value Unit Source
logPoct/wat -1.69 Crippen Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 82.30 kJ/mol 450.2 NIST

Similar Compounds

Rutin. Cyanocobalamin. Nalmefene, bis(trifluoroacetate). Heptafluorobutyryl-codeine. Brucine. Ergocristin. Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. 3-O,6-O,N-Triacetylnormorphine. Etorphine. Chlortetracycline hydrochloride. Naloxone, bis(trimethylsilyl) ether. Nicocodine. 6-O,N-Diacetylnorcodeine. Thebaine. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-.

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