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Nα-Carbobenzoxy-D-asparagine - >98.0%(T), high purity , CAS No.4474-86-6
Basic Description
Synonyms | Z-D-Asn-OH | C12H14N2O5 | AKOS016842396 | DTXSID30364824 | ((Benzyloxy)carbonyl)-D-asparagine | (2R)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid | D-Asparagine, N2-[(phenylmethoxy)carbonyl]- | N-Cbz-D-Asparagine | AS-16060 | (2R)-2-{[(benzyl |
Specifications & Purity | ≥98%(T) |
Storage Temp | Argon charged |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488191978 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191978 |
IUPAC Name | (2R)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid |
INCHI | InChI=1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)/t9-/m1/s1 |
InChi Key | FUCKRCGERFLLHP-SECBINFHSA-N |
Canonical SMILES | C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)O |
Isomeric SMILES | C1=CC=C(C=C1)COC(=O)N[C@H](CC(=O)N)C(=O)O |
PubChem CID | 1712147 |
Molecular Weight | 266.25 |
Reaxy-Rn | 2294171 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility | Solubility in hot Methanol almost transparency |
Sensitivity | Air sensitive |
Specific Rotation[α] | -6.5° (C=1.6,AcOH) |
Melt Point(°C) | 165°C |
Molecular Weight | 266.250 g/mol |
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XLogP3 | -0.100 |
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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 | 7 |
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Exact Mass | 266.09 Da |
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Monoisotopic Mass | 266.09 Da |
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Topological Polar Surface Area | 119.000 Ų |
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Heavy Atom Count | 19 |
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Formal Charge | 0 |
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Complexity | 339.000 |
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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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