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

Details

Stereochemistry RACEMIC
Molecular Formula C7H14O4
Molecular Weight 162.1837
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VIRIDIFLORIC ACID, (±)-

SMILES

CC(C)[C@](O)([C@H](C)O)C(O)=O

InChI

InChIKey=KXEISHUBUXWXGY-FSPLSTOPSA-N
InChI=1S/C7H14O4/c1-4(2)7(11,5(3)8)6(9)10/h4-5,8,11H,1-3H3,(H,9,10)/t5-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H14O4
Molecular Weight 162.1837
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:34:25 GMT 2023
Edited
by admin
on Sat Dec 16 12:34:25 GMT 2023
Record UNII
5ZS7WQL9EX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VIRIDIFLORIC ACID, (±)-
Common Name English
(±)-VIRIDIFLORIC ACID
Systematic Name English
BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (R*,R*)-(±)-
Common Name English
(±)-VIRIDIFLORINOIC ACID
Common Name English
BUTANOIC ACID, 2-HYDROXY-2-((1R)-1-HYDROXYETHYL)-3-METHYL-, (2R)-REL-
Systematic Name English
Code System Code Type Description
CAS
17132-45-5
Created by admin on Sat Dec 16 12:34:25 GMT 2023 , Edited by admin on Sat Dec 16 12:34:25 GMT 2023
PRIMARY
FDA UNII
5ZS7WQL9EX
Created by admin on Sat Dec 16 12:34:25 GMT 2023 , Edited by admin on Sat Dec 16 12:34:25 GMT 2023
PRIMARY
PUBCHEM
167624
Created by admin on Sat Dec 16 12:34:25 GMT 2023 , Edited by admin on Sat Dec 16 12:34:25 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE