Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-α-D-glucopyranosiduronic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25ClO8
Molecular Weight	452.882
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-α-D-glucopyranosiduronic acid

Structure Search

SMILES

CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]3(OC)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C1

InChI

InChIKey=AENMFOGGXPSYRX-UERWRGBPSA-N

InChI=1S/C22H25ClO8/c1-3-30-15-7-4-12(5-8-15)10-13-11-14(6-9-16(13)23)22(29-2)20(26)18(25)17(24)19(31-22)21(27)28/h4-9,11,17-20,24-26H,3,10H2,1-2H3,(H,27,28)/t17-,18-,19-,20+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H25ClO8
Molecular Weight	452.882
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 `Sat Dec 16 18:11:24 GMT 2023` Edited by `admin` on `Sat Dec 16 18:11:24 GMT 2023`
Record UNII	8VP5PSD4QL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-α-D-glucopyranosiduronic acid

Systematic Name

English

α-D-Glucopyranosiduronic acid, methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-

Systematic Name

English

(2S,3S,4S,5R,6S)-6-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-carboxylic Acid

Systematic Name

English

Code System Code Type Description

CAS

1528636-47-6

Created by admin on Sat Dec 16 18:11:24 GMT 2023 , Edited by admin on Sat Dec 16 18:11:24 GMT 2023

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FDA UNII

8VP5PSD4QL

Created by admin on Sat Dec 16 18:11:24 GMT 2023 , Edited by admin on Sat Dec 16 18:11:24 GMT 2023

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PUBCHEM

155645904

Created by admin on Sat Dec 16 18:11:24 GMT 2023 , Edited by admin on Sat Dec 16 18:11:24 GMT 2023

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