| CAS Number | 136523-92-7 |
| Catalog Number | AG0011YC(AGN-PC-0O1AA6) |
| Chemical Name | 3-Phenyl-1h-pyrazole-4-carboxylic acid |
| IUPAC Name | prop-2-enyl (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoate |
| InChI | InChI=1S/C22H23NO5/c1-3-12-27-21(25)20(14(2)24)23-22(26)28-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h3-11,14,19-20,24H,1,12-13H2,2H3,(H,23,26)/t14-,20+/m1/s1 |
| InChI Key | GLXCMMPBFKKXPV-VLIAUNLRSA-N |
| MDL Number | MFCD23160326 |
| Molecular Formula | C22H23NO5 |
| Molecular Weight | 381.4217 |
| SMILES | C[C@@H](O)[C@@H](C(OCC=C)=O)NC(OCC1C2=CC=CC=C2C3=CC=CC=C13)=O |
| Synonyms | N-Fmoc-L-threonine Allyl Ester,
136523-92-7,
L-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2-propenyl ester,
Fmoc-Thr-Allyl OH,
CTK4C0345,
DTXSID00467098,
ZINC44136333,
AKOS025294410,
RT-014432,
FT-0668794,
J-006857,
N-(9-Fluorenylmethoxycarbonyl)threonine Allyl Ester,
L-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2-propen-1-yl ester,
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-threonine 2-Propen-1-yl Ester,
CID11474494,
Prop-2-enyl (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-butanoate,
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| Complexity | 543 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.428g/mol |
| Monoisotopic Mass | 381.158g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number