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

Details

Stereochemistry ABSOLUTE
Molecular Formula C5H10O3
Molecular Weight 118.1311
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Roche ester, (R)-

SMILES

COC(=O)[C@H](C)CO

InChI

InChIKey=ATCCIZURPPEVIZ-SCSAIBSYSA-N
InChI=1S/C5H10O3/c1-4(3-6)5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1

HIDE SMILES / InChI

Molecular Formula C5H10O3
Molecular Weight 118.1311
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:34:15 GMT 2023
Edited
by admin
on Sat Dec 16 17:34:15 GMT 2023
Record UNII
569FQ3X7KG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Roche ester, (R)-
Common Name English
PROPANOIC ACID, 3-HYDROXY-2-METHYL-, METHYL ESTER, (2R)-
Systematic Name English
R-(-)-ROCHE ESTER
Systematic Name English
(-)-METHYL .BETA.-HYDROXYISOBUTYRATE
Systematic Name English
METHYL (R)-(-)-3-HYDROXY-2-METHYLPROPIONATE
Systematic Name English
METHYL (R)-3-HYDROXY-2-METHYLPROPIONATE
Systematic Name English
METHYL (R)-3-HYDROXYISOBUTANOATE
Systematic Name English
(R)-METHYL 3-HYDROXY-2-METHYLPROPANOATE
Systematic Name English
ROCHE ESTER
Common Name English
PROPANOIC ACID, 3-HYDROXY-2-METHYL-, METHYL ESTER, (R)-
Systematic Name English
METHYL (2R)-3-HYDROXY-2-METHYLPROPANOATE
Systematic Name English
METHYL (2R)-3-HYDROXY-2-METHYLPROPIONATE
Systematic Name English
METHYL (R)-.BETA.-HYDROXYISOBUTYRATE
Common Name English
(R)-(-)-3-HYDROXY-2-METHYLPROPIONIC ACID METHYL ESTER
Systematic Name English
(2R)-3-HYDROXY-2-METHYLPROPIONIC ACID METHYL ESTER
Systematic Name English
(-)-(R)-ROCHE ESTER
Systematic Name English
METHYL (R)-3-HYDROXY-2-METHYLPROPANOATE
Systematic Name English
(R)-3-HYDROXY-2-METHYLPROPIONIC ACID METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
569FQ3X7KG
Created by admin on Sat Dec 16 17:34:15 GMT 2023 , Edited by admin on Sat Dec 16 17:34:15 GMT 2023
PRIMARY
PUBCHEM
5324733
Created by admin on Sat Dec 16 17:34:15 GMT 2023 , Edited by admin on Sat Dec 16 17:34:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID90993497
Created by admin on Sat Dec 16 17:34:15 GMT 2023 , Edited by admin on Sat Dec 16 17:34:15 GMT 2023
PRIMARY
CAS
72657-23-9
Created by admin on Sat Dec 16 17:34:15 GMT 2023 , Edited by admin on Sat Dec 16 17:34:15 GMT 2023
PRIMARY
WIKIPEDIA
Roche ester
Created by admin on Sat Dec 16 17:34:15 GMT 2023 , Edited by admin on Sat Dec 16 17:34:15 GMT 2023
PRIMARY