| CAS Number | 1006891-33-3 |
| Catalog Number | AG0002MM(AGN-PC-0WD6Q9) |
| Chemical Name | 2H-Pyran-4-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-, (3R,4R)-rel- |
| IUPAC Name | (3R,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylic acid |
| InChI | InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8-6-16-5-4-7(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1 |
| InChI Key | TXFHSATYMSUPRM-SFYZADRCSA-N |
| MDL Number | MFCD11501215 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | O=C([C@H]1[C@@H](NC(OC(C)(C)C)=O)COCC1)O |
| Synonyms | 1006891-33-3,
cis-3-Boc-Amino-tetrahydropyran-4-carboxylic acid,
cis-3-((tert-Butoxycarbonyl)amino)tetrahydro-2H-pyran-4-carboxylic acid,
cis-3-tert-Butoxycarbonylamino-tetrahydro-pyran-4-carboxylic acid,
cis-3-(tert-butoxycarbonylamino)tetrahydro-2H-pyran-4-carboxylic acid,
(3R,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylic acid,
CTK8F0166,
DTXSID30679400,
ACT05157,
MFCD11501215,
ZINC44137748,
FCH3898129,
AS-37096,
AB0004516,
AX8266749,
RT-017309,
X-2666,
(3R,4R)-3-[(tert-Butoxycarbonyl)amino]oxane-4-carboxylic acid,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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