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877994-37-1 | 1,2,3-OXATHIAZOLIDINE, 5-METHYL-3-[(4-METHYLPHENYL)SULFONYL]-4-PHENYL-, 2-OXIDE, (2S,4R,5S)-
CAS No: 877994-37-1 Catalog No: AG008D37 MDL No:
Product Description
Catalog Number:
AG008D37
Chemical Name:
1,2,3-OXATHIAZOLIDINE, 5-METHYL-3-[(4-METHYLPHENYL)SULFONYL]-4-PHENYL-, 2-OXIDE, (2S,4R,5S)-
CAS Number:
877994-37-1
Molecular Formula:
C16H17NO4S2
Molecular Weight:
351.4405
IUPAC Name:
(2S,4R,5S)-5-methyl-3-(4-methylphenyl)sulfonyl-4-phenyloxathiazolidine 2-oxide
InChI:
InChI=1S/C16H17NO4S2/c1-12-8-10-15(11-9-12)23(19,20)17-16(13(2)21-22(17)18)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-,16-,22-/m0/s1
InChI Key:
KFBPWYZTEXILOH-ODIUBACGSA-N
SMILES:
C[C@@H]1O[S@](=O)N([C@@H]1c1ccccc1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
351.06g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.435g/mol
Monoisotopic Mass:
351.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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