Enciclopedia Química / Organic Intermediate

Z-ALA-PRO-OH

CAS：21027-01-0
MW:320.3404
MF：C16H20N2O5

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Nombres y Identificadores
Propiedades
MSDS
Datos químicos computacionales
información real del producto

1. Nombres y Identificadores

1.1 Nombre del producto: Z-ALA-PRO-OH

1.2 Sinónimos: CBZ-L-ALA-PRO;Z-ALA-PRO-OH;ZL-ALANYL-L-PROLINE;N-cbz-ala-pro;NSC 333444;N-Benciloxicarbonil-L-alanil-L-prolina;Cbz-Ala -Pro-OH

1.3 CAS No.: 21027-01-0

1.4 CID: 5388928

1.5 Fórmula molecular: C16H20N2O5

1.6 Inchi: InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1

1.7 InchiKey: RSSOZTMMMIWOJB-AAEUAGOBSA-N

1.8 Canónico SMILES: CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2

1.9 Isómero SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCC2=CC=CC=C2

2. Propiedades

2.1 Solubilidad: Very 微溶 (0.67 g/L) (25 oC),

2.2 Almacenamiento: -15 ° C

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

Ver todo

4. Árbol de objetos

21027-01-0Total: 13 Árbol de objetos

1142-20-7 255 Productores

21027-01-0 6 Productores

27544-35-0

21027-01-0 6 Productores

Ver todo

5. Precursores y productos

Precursores:

153240-03-0

474316-85-3

33305-75-8

71989-31-6

28861-55-4

226543-68-6

474316-88-6

15761-39-4

1142-20-7

27544-35-0

Productos:

13485-59-1

90105-47-8

63769-98-2

6. Datos químicos computacionales

Molecular Weight：320.3404g/mol
Molecular Formula：C₁₆H₂₀N₂O₅
Compound Is Canonicalized：True
XLogP3-AA：320.13722174
Monoisotopic Mass：320.13722174
Complexity：448
Rotatable Bond Count：6
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：95.9
Heavy Atom Count：：23
Defined Atom Stereocenter Count：2
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjhmAYyCIPABgCIAiHSGAACAAAgAAAIiIGICIkKZjKAsTiccAAk1gGYqAeY0SIOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==