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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',6,6'-TRICHLORO-1',6,6'-TRIDEOXYSUCROSE

SMILES

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

InChI

InChIKey=BPQOIESVQZIMHQ-UGDNZRGBSA-N
InChI=1S/C12H19Cl3O8/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/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 Sat Dec 16 01:57:39 UTC 2023
Edited
by admin
on Sat Dec 16 01:57:39 UTC 2023
Record UNII
CGG2B0M3MW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1',6,6'-TRICHLORO-1',6,6'-TRIDEOXYSUCROSE
Common Name English
NSC-297293
Code English
.ALPHA.-D-GLUCOPYRANOSIDE, 1,6-DICHLORO-1,6-DIDEOXY-.BETA.-D-FRUCTOFURANOSYL 6-CHLORO-6-DEOXY-
Systematic Name English
1',6,6'-TRICHLOROSUCROSE
Common Name English
SUCRALOSE IMPURITY B [EP IMPURITY]
Common Name English
6,1',6'-TRICHLOROSUCROSE
Common Name English
1,6-DICHLORO-1,6-DIDEOXY-.BETA.-D-FRUCTOFURANOSYL 6-CHLORO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSIDE
Systematic Name English
6,1',6'-TRICHLORO-6,1',6'-TRIDEOXYSUCROSE
Common Name English
Code System Code Type Description
NSC
297293
Created by admin on Sat Dec 16 01:57:39 UTC 2023 , Edited by admin on Sat Dec 16 01:57:39 UTC 2023
PRIMARY
CAS
40631-75-2
Created by admin on Sat Dec 16 01:57:39 UTC 2023 , Edited by admin on Sat Dec 16 01:57:39 UTC 2023
PRIMARY
PUBCHEM
10475946
Created by admin on Sat Dec 16 01:57:39 UTC 2023 , Edited by admin on Sat Dec 16 01:57:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID30315770
Created by admin on Sat Dec 16 01:57:39 UTC 2023 , Edited by admin on Sat Dec 16 01:57:39 UTC 2023
PRIMARY
FDA UNII
CGG2B0M3MW
Created by admin on Sat Dec 16 01:57:39 UTC 2023 , Edited by admin on Sat Dec 16 01:57:39 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (TLC)
EP