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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14O4
Molecular Weight 174.1944
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-ACETOXY-2-METHYLBUTYRATE, (2S,3S)-

SMILES

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

InChI

InChIKey=UYUNIPJXXCRQBO-WDSKDSINSA-N
InChI=1S/C8H14O4/c1-5(8(10)11-4)6(2)12-7(3)9/h5-6H,1-4H3/t5-,6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H14O4
Molecular Weight 174.1944
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 00:42:42 GMT 2023
Edited
by admin
on Sat Dec 16 00:42:42 GMT 2023
Record UNII
P49N6K5WAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 3-ACETOXY-2-METHYLBUTYRATE, (2S,3S)-
Systematic Name English
BUTANOIC ACID, 3-(ACETYLOXY)-2-METHYL-, METHYL ESTER, (S-(R*,R*))-
Common Name English
METHYL (2S,3S)-3-ACETOXY-2-METHYL-BUTANOATE
Systematic Name English
FEMA NO. 4451, (2S,3S)-
Code English
Code System Code Type Description
PUBCHEM
71587529
Created by admin on Sat Dec 16 00:42:42 GMT 2023 , Edited by admin on Sat Dec 16 00:42:42 GMT 2023
PRIMARY
CAS
151004-71-6
Created by admin on Sat Dec 16 00:42:42 GMT 2023 , Edited by admin on Sat Dec 16 00:42:42 GMT 2023
PRIMARY
FDA UNII
P49N6K5WAQ
Created by admin on Sat Dec 16 00:42:42 GMT 2023 , Edited by admin on Sat Dec 16 00:42:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID20164693
Created by admin on Sat Dec 16 00:42:42 GMT 2023 , Edited by admin on Sat Dec 16 00:42:42 GMT 2023
PRIMARY