| CAS Number | 885498-48-6 |
| Catalog Number | AG00H45N(AGN-PC-0WOJV6) |
| Chemical Name | tert-Butyl 4-(methoxycarbonyl)-tetrahydro-2H-pyran-4-ylcarbamate |
| IUPAC Name | methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate |
| InChI | InChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-12(9(14)16-4)5-7-17-8-6-12/h5-8H2,1-4H3,(H,13,15) |
| InChI Key | XNEMDNLBFBUFGI-UHFFFAOYSA-N |
| MDL Number | MFCD16621737 |
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.2988 |
| SMILES | CC(C)(C)OC(=O)NC1(CCOCC1)C(=O)OC |
| Synonyms | 885498-48-6,
Methyl 4-(Boc-amino)tetrahydropyran-4-carboxylate,
tert-Butyl 4-(methoxycarbonyl)-tetrahydro-2H-pyran-4-ylcarbamate,
Methyl 4-((tert-butoxycarbonyl)amino)tetrahydro-2H-pyran-4-carboxylate,
SCHEMBL2745968,
XNEMDNLBFBUFGI-UHFFFAOYSA-N,
MFCD16621737,
ZINC98213402,
AKOS027339517,
SY040394,
FT-0766111,
MFCD16621737 (95%),
methyl 4-t-butoxycarbonylamino-tetrahydro-pyran-4-carboxylate,
Methyl 4-({[(1,1-dimethylethyl)oxy]carbonyl}amino)tetrahydro-2H-pyran-4-carboxylate,
4-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-2H-Pyran-4-carboxylic acid methyl ester,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.302g/mol |
| Monoisotopic Mass | 259.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number