(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((2-(HYDROXYMETHYL)-1-METHYL-4-OXO-3-PYRIDYL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H17NO9
Molecular Weight	331.2754
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((2-(HYDROXYMETHYL)-1-METHYL-4-OXO-3-PYRIDYL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CN1C=CC(=O)C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1CO

InChI

InChIKey=MWXWIBLAMHBBKJ-JDQAZDLZSA-N

InChI=1S/C13H17NO9/c1-14-3-2-6(16)10(5(14)4-15)22-13-9(19)7(17)8(18)11(23-13)12(20)21/h2-3,7-9,11,13,15,17-19H,4H2,1H3,(H,20,21)/t7-,8-,9+,11-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H17NO9
Molecular Weight	331.2754
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 01:19:11 GMT 2025` Edited by `admin` on `Wed Apr 02 01:19:11 GMT 2025`
Record UNII	47N4BZV3Z9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEFERIPRONE METABOLITE M3

Preferred Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((2-(HYDROXYMETHYL)-1-METHYL-4-OXO-3-PYRIDYL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

101623833

Created by admin on Wed Apr 02 01:19:11 GMT 2025 , Edited by admin on Wed Apr 02 01:19:11 GMT 2025

PRIMARY

FDA UNII

47N4BZV3Z9

Created by admin on Wed Apr 02 01:19:11 GMT 2025 , Edited by admin on Wed Apr 02 01:19:11 GMT 2025

PRIMARY

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