U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H33FO9S
Molecular Weight 612.662
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol 2,3,4,6-tetraacetate, (1S)-

SMILES

CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC(CC3=CC=C(S3)C4=CC=C(F)C=C4)=C(C)C=C2

InChI

InChIKey=XYBGJUIUCFENGS-IFUGWHCZSA-N
InChI=1S/C32H33FO9S/c1-17-6-7-23(14-24(17)15-26-12-13-28(43-26)22-8-10-25(33)11-9-22)29-31(40-20(4)36)32(41-21(5)37)30(39-19(3)35)27(42-29)16-38-18(2)34/h6-14,27,29-32H,15-16H2,1-5H3/t27-,29+,30-,31+,32+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol 2,3,4,6-tetraacetate
Preferred Name English
1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol 2,3,4,6-tetraacetate, (1S)-
Systematic Name English
D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, 2,3,4,6-tetraacetate, (1S)-
Systematic Name English
D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, tetraacetate, (1S)-
Systematic Name English
Code System Code Type Description
CAS
866607-35-4
Created by admin on Wed Apr 02 19:44:20 GMT 2025 , Edited by admin on Wed Apr 02 19:44:20 GMT 2025
PRIMARY
PUBCHEM
25224976
Created by admin on Wed Apr 02 19:44:20 GMT 2025 , Edited by admin on Wed Apr 02 19:44:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID501045094
Created by admin on Wed Apr 02 19:44:20 GMT 2025 , Edited by admin on Wed Apr 02 19:44:20 GMT 2025
PRIMARY
FDA UNII
UBS5P45257
Created by admin on Wed Apr 02 19:44:20 GMT 2025 , Edited by admin on Wed Apr 02 19:44:20 GMT 2025
PRIMARY