Narirutin

CAT: 0127-BUP04050-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP04050-04Size:50 mg

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CAS Number

14259-46-2

Synonyms

Naringenin-7-O-rutinoside, Isonaringin

MDL Number

MFCD00017316

Purity

=98%

Smiles

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

Chemical Information

Narirutin

Narirutin is a disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an antioxidant, a metabolite and an anti-inflammatory agent. It is a member of 4'-hydroxyflavanones, a (2S)-flavan-4-one, a rutinoside, a dihydroxyflavanone and a disaccharide derivative. It is functionally related to a (S)-naringenin.

CAS Number	14259-46-2
PubChem CID	442431
IUPAC Name	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(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]oxy-2,3-dihydrochromen-4-one
Molecular Formula	C27H32O14
Molecular Weight	580.5
XLogP	-1.1
Topological Polar Surface Area	225
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	6
Heavy Atom Count	41
Formal Charge	0
Complexity	884

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=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O

InChI

InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1

InChIKey

HXTFHSYLYXVTHC-AJHDJQPGSA-N

Chemical Structure

2D Structure

CAS: 14259-46-2

CID: 442431

Formula: C27H32O14

MW: 580.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	580.5
XLogP3	-1.1
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	6
Exact Mass	580.17920569
Monoisotopic Mass	580.17920569
Topological Polar Surface Area	225 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	884
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
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
N1696-20	Narirutin
HY-N0804R-01	Narirutin (Standard)
460592-01	Narirutin Hexaacetate
A14538-100	Narirutin 100mg
A14538-50	Narirutin 50mg
A14538-25	Narirutin 25mg
A14538-5	Narirutin 5mg
AR-N01169-01	Narirutin-d4
460593-01	Narirutin Octaacetate
160260	(2S) -Narirutin

Narirutin

Chemical Information

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