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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H12O7
Molecular Weight 208.166
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-KETO-D-GLUCONATE

SMILES

COC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO

InChI

InChIKey=KPHIBLNUVRGOGU-WDCZJNDASA-N
InChI=1S/C7H12O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h3-5,8-11H,2H2,1H3/t3-,4-,5+/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H12O7
Molecular Weight 208.166
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:55:26 GMT 2025
Edited
by admin
on Mon Mar 31 18:55:26 GMT 2025
Record UNII
17CQ621NHN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 2-KETO-D-GLUCONATE
Common Name English
D-ARABINO-2-HEXULOSONIC ACID, METHYL ESTER
Preferred Name English
METHYL D-ARABINO-HEXULOSONATE
Systematic Name English
METHYL 2-KETOGLUCONATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID4027814
Created by admin on Mon Mar 31 18:55:26 GMT 2025 , Edited by admin on Mon Mar 31 18:55:26 GMT 2025
PRIMARY
ECHA (EC/EINECS)
244-187-9
Created by admin on Mon Mar 31 18:55:26 GMT 2025 , Edited by admin on Mon Mar 31 18:55:26 GMT 2025
PRIMARY
CAS
21063-40-1
Created by admin on Mon Mar 31 18:55:26 GMT 2025 , Edited by admin on Mon Mar 31 18:55:26 GMT 2025
PRIMARY
PUBCHEM
88770
Created by admin on Mon Mar 31 18:55:26 GMT 2025 , Edited by admin on Mon Mar 31 18:55:26 GMT 2025
PRIMARY
FDA UNII
17CQ621NHN
Created by admin on Mon Mar 31 18:55:26 GMT 2025 , Edited by admin on Mon Mar 31 18:55:26 GMT 2025
PRIMARY