| CAS Number | 862700-29-6 |
| Catalog Number | AG01BVRH(AGN-PC-0V3L5R) |
| Chemical Name | 1,1-Dimethylethyl N-[(1R,3S)-3-[[(methylsulfonyl)oxy]methyl]cyclopentyl]carbamate |
| IUPAC Name | [(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl methanesulfonate |
| InChI | InChI=1S/C12H23NO5S/c1-12(2,3)18-11(14)13-10-6-5-9(7-10)8-17-19(4,15)16/h9-10H,5-8H2,1-4H3,(H,13,14)/t9-,10+/m0/s1 |
| InChI Key | LUECKCZWUUIABD-VHSXEESVSA-N |
| MDL Number | MFCD27976493 |
| Molecular Formula | C12H23NO5S |
| Molecular Weight | 293.3797 |
| SMILES | O=C(OC(C)(C)C)N[C@@H]1CC[C@@H](C1)COS(=O)(=O)C |
| Synonyms | 862700-29-6,
Carbamic acid, N-[(1R,3S)-3-[[(methylsulfonyl)oxy]methyl]cyclopentyl]-, 1,1-dimethylethyl ester,
SCHEMBL3900150,
LUECKCZWUUIABD-VHSXEESVSA-N,
ZINC89157312,
L-1350,
methanesulfonic acid (cis)-3-tert-butoxycarbonylamino-cyclopentylmethyl ester,
rac-tert-butyl N-[(1R,3S)-3-[(methanesulfonyloxy)methyl]cyclopentyl]carbamate, cis,
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.378g/mol |
| Monoisotopic Mass | 293.13g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 90.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number