Z-D-phenylalaninol - CAS 58917-85-4
Catalog: |
BB030207 |
Product Name: |
Z-D-phenylalaninol |
CAS: |
58917-85-4 |
Synonyms: |
Z-D-Phe-ol; Cbz-D-phenylalaninol; N-Carbobenzoxy-D-phenylalaninol; (R)-(+)-2-(Cbz-amino)-3-phenyl-1-propanol; benzyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate |
IUPAC Name: | benzyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate |
Description: | A building block for the synthesis of aminophenylpropanyl phosphate derivatives as pin1 inhibitors. |
Molecular Weight: | 285.3 |
Molecular Formula: | C17H19NO3 |
Canonical SMILES: | C1=CC=C(C=C1)CC(CO)NC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1 |
InChI Key: | WPOFMMJJCPZPAO-MRXNPFEDSA-N |
Boiling Point: | 489 °C at 760 mmHg |
Melting Point: | 86-92 °C |
Purity: | ≥ 99 % (HPLC) |
Density: | 1.175 g/cm3 |
Appearance: | White solid |
Storage: | Store at 2-8 °C |
MDL: | MFCD00191193 |
LogP: | 2.90730 |
Publication Number | Title | Priority Date |
AU-2011272198-A1 | Novel nicotinamide derivatives or salts thereof | 20100630 |
AU-2011272198-B2 | Novel nicotinamide derivatives or salts thereof | 20100630 |
CA-2803842-A1 | Nicotinamide derivative or salt thereof as syk-inhibitors | 20100630 |
CA-2803842-C | Nicotinamide derivative or salt thereof as syk-inhibitors | 20100630 |
DK-2589592-T3 | Hitherto UNKNOWN NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | 20100630 |
PMID | Publication Date | Title | Journal |
14741272 | 20040209 | Inhibition of alpha-chymotrypsin with thiol-bearing substrate analogues in the presence of zinc ion | Bioorganic & medicinal chemistry letters |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.13649347 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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