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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H19Cl3O8
Molecular Weight 397.633
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1',4',6'-TRICHLORO-1',4',6'-TRIDEOXYSUCROSE

SMILES

OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](Cl)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=FUOHSUPGQVKBMC-UGDNZRGBSA-N
InChI=1S/C12H19Cl3O8/c13-1-4-6(15)10(20)12(3-14,22-4)23-11-9(19)8(18)7(17)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H19Cl3O8
Molecular Weight 397.633
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:31:12 GMT 2025
Edited
by admin
on Tue Apr 01 19:31:12 GMT 2025
Record UNII
5BN29N2K2P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-D-GLUCOPYRANOSIDE, (2R,3R,4S,5R)-4-CHLORO-2,5-BIS(CHLOROMETHYL)TETRAHYDRO-3-HYDROXYFURAN-2-YL
Preferred Name English
1',4',6'-TRICHLORO-1',4',6'-TRIDEOXYSUCROSE
Common Name English
(2R,3R,4S,5S,6R)-2-((2R,3R,4S,5R)-4-CHLORO-2,5-BIS(CHLOROMETHYL)-3-HYDROXY-TETRAHYDROFURAN-2-YL)OXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-3,4,5-TRIOL
Systematic Name English
1,4,6-TRICHLORO-1,4,6-TRIDEOXY-.BETA.-D-FRUCTOFURANOSYL .ALPHA.-D-GLUCOPYRANOSIDE
Common Name English
1',4,6'-TRICHLORO-1',4,6'-TRIDEOXYSUCROSE-
Common Name English
(2R,3R,4S,5R)-4-CHLORO-2,5-BIS(CHLOROMETHYL)TETRAHYDRO-3-HYDROXYFURAN-2-YL .ALPHA.-D-GLUCOPYRANOSIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
70519515
Created by admin on Tue Apr 01 19:31:12 GMT 2025 , Edited by admin on Tue Apr 01 19:31:12 GMT 2025
PRIMARY
CAS
86172-45-4
Created by admin on Tue Apr 01 19:31:12 GMT 2025 , Edited by admin on Tue Apr 01 19:31:12 GMT 2025
PRIMARY
FDA UNII
5BN29N2K2P
Created by admin on Tue Apr 01 19:31:12 GMT 2025 , Edited by admin on Tue Apr 01 19:31:12 GMT 2025
PRIMARY