| CAS Number | 786709-32-8 |
| Catalog Number | AG008M7C(AGN-PC-0UDOW3) |
| Chemical Name | N-Tosyl-D-Alaninol |
| IUPAC Name | N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C10H15NO3S/c1-8-3-5-10(6-4-8)15(13,14)11-9(2)7-12/h3-6,9,11-12H,7H2,1-2H3/t9-/m1/s1 |
| InChI Key | GMRUIWLGWXFWAI-SECBINFHSA-N |
| MDL Number | MFCD18825657 |
| Molecular Formula | C10H15NO3S |
| Molecular Weight | 229.2960 |
| SMILES | OC[C@H](NS(=O)(=O)c1ccc(cc1)C)C |
| Synonyms | N-Tosyl-D-Alaninol,
786709-32-8,
Benzenesulfonamide,N-[(1R)-2-hydroxy-1-methylethyl]-4-methyl-,
SCHEMBL16519485,
CTK5E6009,
DTXSID80653452,
(R)-2-(Tosylamino)-1-propanol,
KM1931,
ZINC31870341,
AKOS017549988,
V7772,
N-[(2R)-1-Hydroxy-2-propanyl]-4-methylbenzenesulfonamide,
N-[(2R)-1-Hydroxypropan-2-yl]-4-methylbenzene-1-sulfonamide,
C10H15NO3S,
Benzenesulfonamide,N-[ -2-hydroxy-1-methylethyl]-4-methyl-,
(R)-N-(1-HYDROXYPROPAN-2-YL)-4-METHYLBENZENESULFONAMIDE,
Benzenesulfonamide, N-[(1R)-2-hydroxy-1-methylethyl]-4-methyl- (9CI),
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.294g/mol |
| Monoisotopic Mass | 229.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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