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Details

Stereochemistry EPIMERIC
Molecular Formula C7H13O8.Na
Molecular Weight 248.1631
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM FRUCTOHEPTONATE

SMILES

[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)C(O)(CO)C([O-])=O

InChI

InChIKey=BXKOAVJMNXYZPE-GITHWUSYSA-M
InChI=1S/C7H14O8.Na/c8-1-3(10)4(11)5(12)7(15,2-9)6(13)14;/h3-5,8-12,15H,1-2H2,(H,13,14);/q;+1/p-1/t3-,4-,5+,7?;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H13O8
Molecular Weight 225.1733
Charge -1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:41:46 GMT 2023
Edited
by admin
on Fri Dec 15 16:41:46 GMT 2023
Record UNII
PTI1HQO9TY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM FRUCTOHEPTONATE
Common Name English
FRUCTOHEPTONIC ACID, MONOSODIUM SALT
Common Name English
D-ARABINO-HEXONIC ACID, 2-C-(HYDROXYMETHYL)-, MONOSODIUM SALT, (2.EPSILON.)-
Common Name English
Code System Code Type Description
PUBCHEM
72941440
Created by admin on Fri Dec 15 16:41:46 GMT 2023 , Edited by admin on Fri Dec 15 16:41:46 GMT 2023
PRIMARY
FDA UNII
PTI1HQO9TY
Created by admin on Fri Dec 15 16:41:46 GMT 2023 , Edited by admin on Fri Dec 15 16:41:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID4051295
Created by admin on Fri Dec 15 16:41:46 GMT 2023 , Edited by admin on Fri Dec 15 16:41:46 GMT 2023
PRIMARY
CAS
1337-85-5
Created by admin on Fri Dec 15 16:41:46 GMT 2023 , Edited by admin on Fri Dec 15 16:41:46 GMT 2023
PRIMARY