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

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H11O9P.Ba
Molecular Weight 395.447
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARIUM GLUCOSE 6-PHOSPHATE

SMILES

[Ba++].O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@@H](O)C=O

InChI

InChIKey=KJWDCDDLVOHIBC-BTVCFUMJSA-L
InChI=1S/C6H13O9P.Ba/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h1,3-6,8-11H,2H2,(H2,12,13,14);/q;+2/p-2/t3-,4+,5+,6+;/m0./s1

HIDE SMILES / InChI

Molecular Formula Ba
Molecular Weight 137.327
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H11O9P
Molecular Weight 258.1199
Charge -2
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 08:31:41 GMT 2023
Edited
by admin
on Sat Dec 16 08:31:41 GMT 2023
Record UNII
BC62OE9M91
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BARIUM GLUCOSE 6-PHOSPHATE
Systematic Name English
GLUCOSE-6-PHOSPHATE BARIUM SALT [MI]
Common Name English
D-GLUCOSE, 6-(DIHYDROGEN PHOSPHATE), BARIUM SALT (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
111125
Created by admin on Sat Dec 16 08:31:42 GMT 2023 , Edited by admin on Sat Dec 16 08:31:42 GMT 2023
PRIMARY
CAS
5996-16-7
Created by admin on Sat Dec 16 08:31:42 GMT 2023 , Edited by admin on Sat Dec 16 08:31:42 GMT 2023
PRIMARY
FDA UNII
BC62OE9M91
Created by admin on Sat Dec 16 08:31:42 GMT 2023 , Edited by admin on Sat Dec 16 08:31:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID601340382
Created by admin on Sat Dec 16 08:31:42 GMT 2023 , Edited by admin on Sat Dec 16 08:31:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
227-836-0
Created by admin on Sat Dec 16 08:31:42 GMT 2023 , Edited by admin on Sat Dec 16 08:31:42 GMT 2023
PRIMARY
MERCK INDEX
m5768
Created by admin on Sat Dec 16 08:31:42 GMT 2023 , Edited by admin on Sat Dec 16 08:31:42 GMT 2023
PRIMARY Merck Index