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

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C6H11O7.Ca
Molecular Weight 430.373
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM GULONATE, D-

SMILES

[Ca++].OC[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([O-])=O

InChI

InChIKey=NEEHYRZPVYRGPP-MZDSYRDGSA-L
InChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3+,4-,5-;/m11./s1

HIDE SMILES / InChI

Molecular Formula C6H11O7
Molecular Weight 195.1473
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:46:12 GMT 2023
Edited
by admin
on Sat Dec 16 01:46:12 GMT 2023
Record UNII
3N0TKQ5Q6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM GULONATE, D-
Common Name English
D-GULONIC ACID CALCIUM SALT [MI]
Common Name English
GULONIC ACID, CALCIUM SALT (2:1), D-
Common Name English
D-GULONIC ACID, CALCIUM SALT (2:1)
Common Name English
Code System Code Type Description
FDA UNII
3N0TKQ5Q6U
Created by admin on Sat Dec 16 01:46:12 GMT 2023 , Edited by admin on Sat Dec 16 01:46:12 GMT 2023
PRIMARY
CAS
6027-86-7
Created by admin on Sat Dec 16 01:46:12 GMT 2023 , Edited by admin on Sat Dec 16 01:46:12 GMT 2023
PRIMARY
MERCK INDEX
m5881
Created by admin on Sat Dec 16 01:46:12 GMT 2023 , Edited by admin on Sat Dec 16 01:46:12 GMT 2023
PRIMARY Merck Index
PUBCHEM
13013796
Created by admin on Sat Dec 16 01:46:12 GMT 2023 , Edited by admin on Sat Dec 16 01:46:12 GMT 2023
PRIMARY
Related Record Type Details
DERIVATIVE -> PARENT