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N-Carbobenzoxy-4-hydroxy-D-2-phenylglycine - >98.0%(HPLC)(T), high purity , CAS No.26787-75-7
Basic Description
Specifications & Purity | ≥98%(HPLC)(T) |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504760546 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760546 |
IUPAC Name | (2R)-2-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid |
INCHI | InChI=1S/C16H15NO5/c18-13-8-6-12(7-9-13)14(15(19)20)17-16(21)22-10-11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,17,21)(H,19,20)/t14-/m1/s1 |
InChi Key | CGDQNVNWDDEJPY-CQSZACIVSA-N |
Canonical SMILES | C1=CC=C(C=C1)COC(=O)NC(C2=CC=C(C=C2)O)C(=O)O |
Isomeric SMILES | C1=CC=C(C=C1)COC(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)O |
PubChem CID | 1514128 |
Molecular Weight | 301.3 |
Reaxy-Rn | 3561093 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility | Soluble in Methanol |
Molecular Weight | 301.290 g/mol |
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XLogP3 | 2.400 |
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Hydrogen Bond Donor Count | 3 |
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Hydrogen Bond Acceptor Count | 5 |
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Rotatable Bond Count | 6 |
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Exact Mass | 301.095 Da |
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Monoisotopic Mass | 301.095 Da |
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Topological Polar Surface Area | 95.900 Ų |
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Heavy Atom Count | 22 |
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Formal Charge | 0 |
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Complexity | 373.000 |
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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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