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

Details

Stereochemistry RACEMIC
Molecular Formula C10H15NO4S
Molecular Weight 245.295
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-1-(4-(METHYLSULFONYL)PHENYL)PROPANE-1,3-DIOL, THREO-

SMILES

CS(=O)(=O)C1=CC=C(C=C1)[C@@H](O)[C@H](N)CO

InChI

InChIKey=CIAZEFCFQFQJLB-NXEZZACHSA-N
InChI=1S/C10H15NO4S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3/t9-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H15NO4S
Molecular Weight 245.295
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
T1GN4OW4F4
Record Status Validated (UNII)
Record Version