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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H13ClO5
Molecular Weight 212.628
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL-6-CHLORO-6-DEOXY-.BETA.-D-GLUCOPYRANOSIDE

SMILES

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

InChI

InChIKey=TZECRHYTLKLTSH-XUUWZHRGSA-N
InChI=1S/C7H13ClO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H13ClO5
Molecular Weight 212.628
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 01:46:57 GMT 2023
Edited
by admin
on Sat Dec 16 01:46:57 GMT 2023
Record UNII
SC49IVI1MZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL-6-CHLORO-6-DEOXY-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, METHYL 6-CHLORO-6-DEOXY-
Systematic Name English
(2S,3S,4S,5R,6R)-2-(CHLOROMETHYL)-6-METHOXY-TETRAHYDROPYRAN-3,4,5-TRIOL
Systematic Name English
NSC-179645
Code English
METHYL 6-CHLORO-6-DEOXY-BETA-D-GLUCOPYRANOSIDE
Systematic Name English
Code System Code Type Description
FDA UNII
SC49IVI1MZ
Created by admin on Sat Dec 16 01:46:57 GMT 2023 , Edited by admin on Sat Dec 16 01:46:57 GMT 2023
PRIMARY
CAS
4990-84-5
Created by admin on Sat Dec 16 01:46:57 GMT 2023 , Edited by admin on Sat Dec 16 01:46:57 GMT 2023
PRIMARY
PUBCHEM
122201212
Created by admin on Sat Dec 16 01:46:57 GMT 2023 , Edited by admin on Sat Dec 16 01:46:57 GMT 2023
PRIMARY
NSC
179645
Created by admin on Sat Dec 16 01:46:57 GMT 2023 , Edited by admin on Sat Dec 16 01:46:57 GMT 2023
PRIMARY