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Rutin hydrate

CAT: 0013-GTR19172732-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19172732-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rutin hydrate is a common flavonoid glycoside found in many plants, such as citrus fruits. It is widely used in research for its antioxidant and anti-inflammatory properties, with applications in both in vitro assays and in vivo model studies.
CAS Number
190836-14-7
Product Name Alternative
Beta Amyloid, BetaAmyloid, brain, blood, barrier, Amyloid-β, antidiabetic, antioxidant, anti-inflammatory, b Amyloid, Autophagy, bAmyloid, 207671-50-9, Abeta, Inhibitor, hepatoprotective, Endogenous Metabolite, flavonoid, inhibit, neuroprotective, nephroprotective, Rutoside, Rutin, Rutin Hydrate, Rutin hydrate, Sophorin, Quercetin-3-O-rutinoside, β Amyloid, β-amyloid peptide, βAmyloid
Field of Research
Cell Biology, Metabolism Research, Neuroscience
Purity
97.23% (May vary between batches)
Solubility
DMSO:60 mg/mL (95.46 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.18 mM)
Smiles
O=C (C (O[C@@H]1O[C@@H] ([C@H] ([C@@H] ([C@H]1O) O) O) CO[C@H]2[C@@H] ([C@@H] ([C@H] ([C@@H] (O2) C) O) O) O) =C (C3=CC (O) =C (C=C3) O) OC4=CC (O) =C5) C4=C5O.O
Molecular Formula
C27H32O17
Molecular Weight
628.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

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;Hydrate

Rutin hydrate is an organic molecular entity. It has a role as an antioxidant. It contains a rutin.

CAS Number190836-14-7
PubChem CID45479757
IUPAC Name2-(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;hydrate
Molecular FormulaC27H32O17
Molecular Weight628.5
Topological Polar Surface Area267
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count17
Rotatable Bond Count6
Heavy Atom Count44
Formal Charge0
Complexity1020
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
InChI
InChI=1S/C27H30O16.H2O/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;1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;/m0./s1
InChIKey
PGHSKTKIQIBATG-ZAAWVBGYSA-N
Chemical Structure
2D Structure
2D structure of 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;Hydrate
CAS: 190836-14-7
CID: 45479757
Formula: C27H32O17
MW: 628.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight628.5
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count17
Rotatable Bond Count6
Exact Mass628.16394955
Monoisotopic Mass628.16394955
Topological Polar Surface Area267 Ų
Heavy Atom Count44
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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