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115744-13-3 | 2-Oxazolidinone, 3-(1-methylethyl)-5-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (5R)-
CAS No: 115744-13-3 Catalog No: AG000GTD MDL No:
Product Description
Catalog Number:
AG000GTD
Chemical Name:
2-Oxazolidinone, 3-(1-methylethyl)-5-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, (5R)-
CAS Number:
115744-13-3
Molecular Formula:
C14H19NO5S
Molecular Weight:
313.3694
IUPAC Name:
[(5R)-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C14H19NO5S/c1-10(2)15-8-12(20-14(15)16)9-19-21(17,18)13-6-4-11(3)5-7-13/h4-7,10,12H,8-9H2,1-3H3/t12-/m1/s1
InChI Key:
VSBCXARDKFKTHY-GFCCVEGCSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC(=O)N(C1)C(C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
313.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.368g/mol
Monoisotopic Mass:
313.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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