Rutin

CAT: 1596-AR-R02031-02Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R02031-02Size:100 Units

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CAS Number

153-18-4

Synonyms

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-methyltetrahydro-2H-pyran-2-yl) oxy) methyl) tetrahydro-2H-pyran-2-yl) oxy) -4H-chromen-4-one; 3-[[6-O- (6-Deoxy-?-L-mannopyranosyl) -?-D-glucopyranosyl]oxy]-2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one; Globularicitrin; Ilixathin; Melin; Rutabion; Rutinic Acid; Rutosid; Vitamin P; NSC 9220

Molecular Formula

C27H30O16

Molecular Weight

610.52

API Name

Rutin

Chemical Information

Rutin

Rutin is a rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups. It has a role as an antioxidant and a metabolite. It is a rutinoside, a tetrahydroxyflavone, a disaccharide derivative and a quercetin O-glucoside.

CAS Number	153-18-4
PubChem CID	5280805
IUPAC Name	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
Molecular Formula	C27H30O16
Molecular Weight	610.5
XLogP	-1.3
Topological Polar Surface Area	266
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	6
Heavy Atom Count	43
Formal Charge	0
Complexity	1020

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

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/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1

InChIKey

IKGXIBQEEMLURG-NVPNHPEKSA-N

Chemical Structure

2D Structure

CAS: 153-18-4

CID: 5280805

Formula: C27H30O16

MW: 610.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	610.5
XLogP3	-1.3
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	6
Exact Mass	610.15338487
Monoisotopic Mass	610.15338487
Topological Polar Surface Area	266 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
N1833-100	Rutin

Rutin

Chemical Information

Alternative Products

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