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Z-Glu(OBzl)-OH - ≥98.0%(HPLC), high purity , CAS No.5680-86-4
Basic Description
Synonyms | (2S)-5-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-5-oxopentanoic acid (non-preferred name) | FD21354 | EN300-7385845 | Q-201454 | SCHEMBL7373019 | B3902 | AKOS015924087 | NSC 169178 | STL466180 | (S)-5-(benzyloxy)-2-(benzyloxycarbonylamino)-5-oxopentanoic |
Specifications & Purity | ≥98%(HPLC) |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504762379 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762379 |
IUPAC Name | (2S)-5-oxo-5-phenylmethoxy-2-(phenylmethoxycarbonylamino)pentanoic acid |
INCHI | InChI=1S/C20H21NO6/c22-18(26-13-15-7-3-1-4-8-15)12-11-17(19(23)24)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,23,24)/t17-/m0/s1 |
InChi Key | TWIVXHQQTRSWGO-KRWDZBQOSA-N |
Canonical SMILES | C1=CC=C(C=C1)COC(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2 |
Isomeric SMILES | C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2 |
PubChem CID | 3049860 |
Molecular Weight | 371.39 |
Reaxy-Rn | 1895327 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility | Soluble in ethanol. Insoluble in water. |
Specific Rotation[α] | -9.0° |
Melt Point(°C) | 76 °C |
Molecular Weight | 371.400 g/mol |
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XLogP3 | 2.700 |
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Hydrogen Bond Donor Count | 2 |
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Hydrogen Bond Acceptor Count | 6 |
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Rotatable Bond Count | 11 |
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Exact Mass | 371.137 Da |
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Monoisotopic Mass | 371.137 Da |
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Topological Polar Surface Area | 102.000 Ų |
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Heavy Atom Count | 27 |
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Formal Charge | 0 |
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Complexity | 483.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 1 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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