| CAS Number | 1213198-51-6 |
| Catalog Number | AG00HG36(AGN-PC-0WCYN8) |
| Chemical Name | N-Boc-3,5-Difluoro-D-tyrosine |
| IUPAC Name | (2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C14H17F2NO5/c1-14(2,3)22-13(21)17-10(12(19)20)6-7-4-8(15)11(18)9(16)5-7/h4-5,10,18H,6H2,1-3H3,(H,17,21)(H,19,20)/t10-/m1/s1 |
| InChI Key | FWRXLQAYDCVCPC-SNVBAGLBSA-N |
| MDL Number | MFCD08689604 |
| Molecular Formula | C14H17F2NO5 |
| Molecular Weight | 317.2853 |
| SMILES | FC1C=C(C[C@H](C(O)=O)NC(=O)OC(C)(C)C)C=C(C=1O)F |
| Synonyms | N-Boc-3,5-Difluoro-D-tyrosine,
1213198-51-6,
(R)-2-((tert-Butoxycarbonyl)amino)-3-(3,5-difluoro-4-hydroxyphenyl)propanoic acid,
boc-d-tyr(3,5-cl2)-oh,
SCHEMBL20422425,
MFCD08689604,
ZINC15442626,
AS-36831,
AX8266710,
X-1995,
(r)-2-tert-butoxycarbonylamino-3-(3,5-dichloro-4-hydroxyphenyl)propionic acid,
(R)-2-tert-Butoxycarbonylamino-3-(3,5-difluoro-4-hydroxy-phenyl)-propionic acid,
n-boc-3,5-dichloro-d-tyrosine,
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| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.289g/mol |
| Monoisotopic Mass | 317.107g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number