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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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
569FQ3X7KG
Record Status Validated (UNII)
Record Version