Z-Dap-OH - ≥98% , CAS No.35761-26-3

CAS: 35761-26-3 Cat. No.: Z100974 Fórmula: C₁₁H₁₄N₂O₄ Peso molecular: 238.24 Beilstein Registry Number: 4486950 Número CE: 689-800-4

GRADE & PURITY ≥98%

Synonyms

(2S)-3-amino-2-{[(benzyloxy)carbonyl]amino}propanoic acid | N?-Benzyloxycarbonyl-L-2,3-diamiopropionic Acid | Nalpha -(carbobenzyloxy)-beta-(amino)-L-alanine | 3-Amino-N-(carbobenzoxy)-L-alanine | BB 0262194 | FOXRXVSTFGNURG-VIFPVBQESA-N | AKOS007930035 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(2S)-3-amino-2-{[(benzyloxy)carbonyl]amino}propanoic acid | N?-Benzyloxycarbonyl-L-2,3-diamiopropionic Acid | Nalpha -(carbobenzyloxy)-beta-(amino)-L-alanine | 3-Amino-N-(carbobenzoxy)-L-alanine | BB 0262194 | FOXRXVSTFGNURG-VIFPVBQESA-N | AKOS007930035 |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488193011

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193011

Sorrisos canónicos

C1=CC=C(C=C1)COC(=O)NC(CN)C(=O)O

IUPAC Name

(2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid

InChIKey

FOXRXVSTFGNURG-VIFPVBQESA-N

INCHI

1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1

SMILES isoméricas

C1=CC=C(C=C1)COC(=O)N[C@@H](CN)C(=O)O

WGK Alemanha

3

Peso molecular

238.24

Beilstein

4486950

Reaxy-Rn

2290109

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2290109&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Alpha amino acids and derivatives Carbamate esters Organic carbonic acids and derivatives Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzyloxycarbonyl - Carbamic acid ester - Amino acid or derivatives - Amino acid - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Rotação específica [α]: -13° (C=1,1mol/L NaOH)
• Ponto de fusão (°C): 250°C
• Peso molecular: 238.240 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 238.095 Da
• Monoisotopic Mass: 238.095 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 264.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1