| CAS Number | 92264-99-8 |
| Catalog Number | AG00H0EF(AGN-PC-0VYX6T) |
| Chemical Name | Boc-Tyr(PO₃Me₂)-OH |
| IUPAC Name | (2S)-3-(4-dimethoxyphosphoryloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C16H24NO8P/c1-16(2,3)24-15(20)17-13(14(18)19)10-11-6-8-12(9-7-11)25-26(21,22-4)23-5/h6-9,13H,10H2,1-5H3,(H,17,20)(H,18,19)/t13-/m0/s1 |
| InChI Key | SPVKDJVZEGSJSS-ZDUSSCGKSA-N |
| MDL Number | MFCD00143865 |
| Molecular Formula | C16H24NO6P |
| Molecular Weight | 357.3386 |
| SMILES | COP(=O)(Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)OC |
| Synonyms | Boc-Tyr(PO3Me2)-OH,
92264-99-8,
Boc-Tyr(POe)-OH,
Boc-O-dimethylphospho-L-tyrosine,
C16H24NO8P,
ZINC2516830,
6462AH,
KM3087,
MFCD00143865,
N|A-Boc-O-(dimethylphospho)-L-tyrosine,
FT-0774237,
Boc-Tyr(PO3Me2)-OH, >=96.0% (HPLC),
C-56439,
N-(tert-Butoxycarbonyl)-O-(dimethoxyphosphinyl)-L-tyrosine,
(S)-2-(tert-butoxycarbonylamino)-3-(4-(dimethoxyphosphoryloxy)phenyl)propanoic acid,
BOC-TYR -OH,
CID7015731,
3-(4-dimethoxyphosphoryloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,
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| Complexity | 517 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.341g/mol |
| Monoisotopic Mass | 389.124g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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