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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H13O8.Na
Molecular Weight 248.1631
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM .BETA.-GLUCOHEPTONATE

SMILES

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

InChI

InChIKey=FMYOMWCQJXWGEN-WNFIKIDCSA-M
InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C7H13O8
Molecular Weight 225.1733
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:04:56 GMT 2023
Edited
by admin
on Sat Dec 16 10:04:56 GMT 2023
Record UNII
K07ITU6FP6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM .BETA.-GLUCOHEPTONATE
Common Name English
D-GLYCERO-D-IDO-HEPTONIC ACID, MONOSODIUM SALT
Systematic Name English
SODIUM D-GLYCERO-D-IDO-HEPTONATE
Common Name English
D-GLYCERO-D-IDO-HEPTONIC ACID, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10885466
Created by admin on Sat Dec 16 10:04:56 GMT 2023 , Edited by admin on Sat Dec 16 10:04:56 GMT 2023
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FDA UNII
K07ITU6FP6
Created by admin on Sat Dec 16 10:04:56 GMT 2023 , Edited by admin on Sat Dec 16 10:04:56 GMT 2023
PRIMARY
PUBCHEM
23687883
Created by admin on Sat Dec 16 10:04:56 GMT 2023 , Edited by admin on Sat Dec 16 10:04:56 GMT 2023
PRIMARY
CAS
30080-50-3
Created by admin on Sat Dec 16 10:04:56 GMT 2023 , Edited by admin on Sat Dec 16 10:04:56 GMT 2023
PRIMARY
ECHA (EC/EINECS)
250-034-7
Created by admin on Sat Dec 16 10:04:56 GMT 2023 , Edited by admin on Sat Dec 16 10:04:56 GMT 2023
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