(2S,3S,4S,5R,6R)-6-(((2R,3S,4R,5R,6S)-6-(4-CHLORO-3-((4-((3S)-TETRAHYDROFURAN-3-YL)OXYPHENYL)METHYL)PHENYL)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL)METHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H35ClO13
Molecular Weight	627.033
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6R)-6-(((2R,3S,4R,5R,6S)-6-(4-CHLORO-3-((4-((3S)-TETRAHYDROFURAN-3-YL)OXYPHENYL)METHYL)PHENYL)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL)METHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

O[C@@H]1[C@@H](CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@H](O)[C@H]1O)C3=CC(CC4=CC=C(O[C@H]5CCOC5)C=C4)=C(Cl)C=C3

InChI

InChIKey=DGBXJHMZYATBFX-CUNLDNTNSA-N

InChI=1S/C29H35ClO13/c30-18-6-3-14(10-15(18)9-13-1-4-16(5-2-13)41-17-7-8-39-11-17)26-23(34)21(32)20(31)19(42-26)12-40-29-25(36)22(33)24(35)27(43-29)28(37)38/h1-6,10,17,19-27,29,31-36H,7-9,11-12H2,(H,37,38)/t17-,19+,20+,21-,22-,23+,24-,25+,26-,27-,29+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6R)-6-(((2R,3S,4R,5R,6S)-6-(4-CHLORO-3-((4-((3S)-TETRAHYDROFURAN-3-YL)OXYPHENYL)METHYL)PHENYL)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL)METHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

CD00006134

Code

English

EMPAGLIFLOZIN METABOLITE M626/2

Common Name

English

Code System Code Type Description

PUBCHEM

156613670

Created by admin on Sat Dec 16 15:13:05 GMT 2023 , Edited by admin on Sat Dec 16 15:13:05 GMT 2023