(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methoxymethyl]phenyl]-D-glucitol

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H27ClO7
Molecular Weight	438.899
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methoxymethyl]phenyl]-D-glucitol

Structure Search

SMILES

CCOC1=CC=C(C=C1)C(OC)C2=CC(=CC=C2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

InChI

InChIKey=YJHNDVLNJRNPEO-PRYCNDIFSA-N

InChI=1S/C22H27ClO7/c1-3-29-14-7-4-12(5-8-14)21(28-2)15-10-13(6-9-16(15)23)22-20(27)19(26)18(25)17(11-24)30-22/h4-10,17-22,24-27H,3,11H2,1-2H3/t17-,18-,19+,20-,21?,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H27ClO7
Molecular Weight	438.899
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:32:29 GMT 2025` Edited by `admin` on `Wed Apr 02 17:32:29 GMT 2025`
Record UNII	34FB7R7U3Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methoxymethyl]phenyl]-D-glucitol

Systematic Name

English

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)-methoxymethyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Preferred Name

English

D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methoxymethyl]phenyl]-, (1S)-

Systematic Name

English

2-[4-chloro-3-[(4-ethoxyphenyl)-methoxymethyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4R,5S,6R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

68264609

Created by admin on Wed Apr 02 17:32:29 GMT 2025 , Edited by admin on Wed Apr 02 17:32:29 GMT 2025

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CAS

1318794-28-3

Created by admin on Wed Apr 02 17:32:29 GMT 2025 , Edited by admin on Wed Apr 02 17:32:29 GMT 2025

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FDA UNII

34FB7R7U3Z

Created by admin on Wed Apr 02 17:32:29 GMT 2025 , Edited by admin on Wed Apr 02 17:32:29 GMT 2025

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