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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C7H13O8.Ca
Molecular Weight 490.425
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM D-GLYCERO-D-IDO-HEPTONATE

SMILES

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

InChI

InChIKey=FATUQANACHZLRT-JZRUXATRSA-L
InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6+;/m11./s1

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:09:26 UTC 2023
Edited
by admin
on Fri Dec 15 16:09:26 UTC 2023
Record UNII
6Y5NDD0J6B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM D-GLYCERO-D-IDO-HEPTONATE
Common Name English
D-GLYCERO-D-IDO-HEPTONIC ACID, CALCIUM SALT (2:1)
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
269-704-5
Created by admin on Fri Dec 15 16:09:26 UTC 2023 , Edited by admin on Fri Dec 15 16:09:26 UTC 2023
PRIMARY
PUBCHEM
21118492
Created by admin on Fri Dec 15 16:09:26 UTC 2023 , Edited by admin on Fri Dec 15 16:09:26 UTC 2023
PRIMARY
FDA UNII
6Y5NDD0J6B
Created by admin on Fri Dec 15 16:09:26 UTC 2023 , Edited by admin on Fri Dec 15 16:09:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID10890979
Created by admin on Fri Dec 15 16:09:26 UTC 2023 , Edited by admin on Fri Dec 15 16:09:26 UTC 2023
PRIMARY
CAS
68310-14-5
Created by admin on Fri Dec 15 16:09:26 UTC 2023 , Edited by admin on Fri Dec 15 16:09:26 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS