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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-L-GULONATE

SMILES

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

InChI

InChIKey=KPHIBLNUVRGOGU-LMVFSUKVSA-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-/m0/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

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:56:17 UTC 2023
Edited
by admin
on Sat Dec 16 07:56:17 UTC 2023
Record UNII
IF3VWH6PCF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 2-KETO-L-GULONATE
Common Name English
NSC-163924
Code English
methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate
Systematic Name English
METHYL L-XYLO-HEX-2-ULOSONATE
Systematic Name English
2-KETO-L-GULONIC ACID METHYL ESTER [MI]
Common Name English
METHYL L-XYLO-HEXULOSONATE
Common Name English
L-XYLO-2-HEXULOSONIC ACID, METHYL ESTER
Common Name English
METHYL L-SORBOSONATE
Common Name English
2-KETO-L-GULONIC ACID METHYL ESTER
MI  
Common Name English
ASCORBIC ACID IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
200979
Created by admin on Sat Dec 16 07:56:17 UTC 2023 , Edited by admin on Sat Dec 16 07:56:17 UTC 2023
PRIMARY
CAS
3031-98-9
Created by admin on Sat Dec 16 07:56:17 UTC 2023 , Edited by admin on Sat Dec 16 07:56:17 UTC 2023
PRIMARY
NSC
163924
Created by admin on Sat Dec 16 07:56:17 UTC 2023 , Edited by admin on Sat Dec 16 07:56:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID50184405
Created by admin on Sat Dec 16 07:56:17 UTC 2023 , Edited by admin on Sat Dec 16 07:56:17 UTC 2023
PRIMARY
MERCK INDEX
m6621
Created by admin on Sat Dec 16 07:56:17 UTC 2023 , Edited by admin on Sat Dec 16 07:56:17 UTC 2023
PRIMARY Merck Index
FDA UNII
IF3VWH6PCF
Created by admin on Sat Dec 16 07:56:17 UTC 2023 , Edited by admin on Sat Dec 16 07:56:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY