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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C5H9O2.Sr.H2O
Molecular Weight 307.88
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STRONTIUM ISOVALERATE MONOHYDRATE

SMILES

O.[Sr++].CC(C)CC([O-])=O.CC(C)CC([O-])=O

InChI

InChIKey=RLSZNCAXZIIOEQ-UHFFFAOYSA-L
InChI=1S/2C5H10O2.H2O.Sr/c2*1-4(2)3-5(6)7;;/h2*4H,3H2,1-2H3,(H,6,7);1H2;/q;;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Sr
Molecular Weight 87.62
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H9O2
Molecular Weight 101.1238
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
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 19:06:57 GMT 2023
Edited
by admin
on Sat Dec 16 19:06:57 GMT 2023
Record UNII
J3NGD43YQX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STRONTIUM ISOVALERATE MONOHYDRATE
Common Name English
BUTANOIC ACID, 3-METHYL-, STRONTIUM SALT, MONOHYDRATE
Systematic Name English
STRONTIUM DIISOVALERATE MONOHYDRATE
Common Name English
BUTANOIC ACID, 3-METHYL-, STRONTIUM SALT, HYDRATE (2:1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
162623622
Created by admin on Sat Dec 16 19:06:57 GMT 2023 , Edited by admin on Sat Dec 16 19:06:57 GMT 2023
PRIMARY
FDA UNII
J3NGD43YQX
Created by admin on Sat Dec 16 19:06:57 GMT 2023 , Edited by admin on Sat Dec 16 19:06:57 GMT 2023
PRIMARY
CAS
143457-68-5
Created by admin on Sat Dec 16 19:06:57 GMT 2023 , Edited by admin on Sat Dec 16 19:06:57 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE