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Chemical structure of Rutin (hydrate)

GC44856

Rutin (hydrate)

Also known as 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate

Rutin (Rutoside) trihydrate is a multifunctional natural flavonoid glycoside

ChemicalCAS250249-75-3MW664.6FormulaC27H30O16•3H2O
CAS number
250249-75-3
Molecular weight
664.6
Formula
C27H30O16•3H2O
Solubility
DMF： 30 mg/mL,DMF：PBS (pH 7·2) (1：5)： 0·16 mg/mL,DMSO： 25 mg/mL
InChIKey
NLLBWFFSGHKUSY-JPRRWYCFSA-N
Catalogue number
GC44856
Brand
GLPBIO
Computed properties PubChem CID 16218542 · TPSA 269 Ų · H-bond donors 13 · H-bond acceptors 19
TPSA
269 Ų
H-bond donors
13
H-bond acceptors
19
Rotatable bonds
6
Heavy atoms
46

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O

Computed descriptors from PubChem (CID 16218542), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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