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Monoxerutin

CAT: 0926-FM176239-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FM176239-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23869-24-1
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) OCCO) C5=CC (=C (C=C5) O) O) O) O) O) O) O) O
Controlled
No

Chemical Information

Monoxerutin

Monoxerutin is a glycoside and a member of flavonoids.

CAS Number23869-24-1
PubChem CID9852585
IUPAC Name2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-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
Molecular FormulaC29H34O17
Molecular Weight654.6
XLogP-1.6
Topological Polar Surface Area275
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Heavy Atom Count46
Formal Charge0
Complexity1070
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)OCCO)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChI
InChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-15(33)7-12(41-5-4-30)8-16(18)44-26(27)11-2-3-13(31)14(32)6-11/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1
InChIKey
MBHXKZDTQCSVPM-BDAFLREQSA-N
Chemical Structure
2D Structure
2D structure of Monoxerutin
CAS: 23869-24-1
CID: 9852585
Formula: C29H34O17
MW: 654.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight654.6
XLogP3-1.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Exact Mass654.17959961
Monoisotopic Mass654.17959961
Topological Polar Surface Area275 Ų
Heavy Atom Count46
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-M238000-50MGMonoxerutin

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