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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H12O8
Molecular Weight 224.1654
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-gluco-2-Heptulosonic acid

SMILES

OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)C(O)=O

InChI

InChIKey=NGECPFWYOSEXMF-SQOUGZDYSA-N
InChI=1S/C7H12O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-5,8-12H,1H2,(H,14,15)/t2-,3-,4+,5-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H12O8
Molecular Weight 224.1654
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:55:31 GMT 2023
Edited
by admin
on Sat Dec 16 19:55:31 GMT 2023
Record UNII
VJD57V7UVU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-gluco-2-Heptulosonic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
57502115
Created by admin on Sat Dec 16 19:55:31 GMT 2023 , Edited by admin on Sat Dec 16 19:55:31 GMT 2023
PRIMARY
CAS
898337-42-3
Created by admin on Sat Dec 16 19:55:31 GMT 2023 , Edited by admin on Sat Dec 16 19:55:31 GMT 2023
PRIMARY
FDA UNII
VJD57V7UVU
Created by admin on Sat Dec 16 19:55:31 GMT 2023 , Edited by admin on Sat Dec 16 19:55:31 GMT 2023
PRIMARY