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-.ALPHA.-D-GLUCOPYRANOSIDE

SMILES

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

InChI

InChIKey=TZECRHYTLKLTSH-ZFYZTMLRSA-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 12:53:04 GMT 2023
Edited
by admin
on Sat Dec 16 12:53:04 GMT 2023
Record UNII
Z9FG2JCS7Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 6-CHLORO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSIDE
Common Name English
NSC-170171
Code English
METHYL 6-CHLORO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSIDE, (+)-
Systematic Name English
.ALPHA.-D-GLUCOPYRANOSIDE, METHYL 6-CHLORO-6-DEOXY-
Systematic Name English
METHYL-6-CHLORO-6-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
Systematic Name English
(2S,3S,4S,5R,6S)-2-(CHLOROMETHYL)-6-METHOXY-TETRAHYDROPYRAN-3,4,5-TRIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
11095937
Created by admin on Sat Dec 16 12:53:04 GMT 2023 , Edited by admin on Sat Dec 16 12:53:04 GMT 2023
PRIMARY
FDA UNII
Z9FG2JCS7Z
Created by admin on Sat Dec 16 12:53:04 GMT 2023 , Edited by admin on Sat Dec 16 12:53:04 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
METHYL 6-CHLORO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSIDE
Created by admin on Sat Dec 16 12:53:04 GMT 2023 , Edited by admin on Sat Dec 16 12:53:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID20961689
Created by admin on Sat Dec 16 12:53:04 GMT 2023 , Edited by admin on Sat Dec 16 12:53:04 GMT 2023
PRIMARY
CAS
4144-87-0
Created by admin on Sat Dec 16 12:53:04 GMT 2023 , Edited by admin on Sat Dec 16 12:53:04 GMT 2023
PRIMARY
NSC
170171
Created by admin on Sat Dec 16 12:53:04 GMT 2023 , Edited by admin on Sat Dec 16 12:53:04 GMT 2023
PRIMARY