GRADE & PURITY ≥98%

Synonyms

Z-D-2-Nal-OH | EN300-7364262 | DS-8266 | (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid | Cbz-3-(2-Naphthyl)-D-alanine | HY-W011154 | C72691 | (R)-2-(((Benzyloxy)carbonyl)amino)-3-(naphthalen-2-yl)propanoic acid | Z-3-(Naphthyl)-d-ala

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z-D-2-Nal-OH | EN300-7364262 | DS-8266 | (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid | Cbz-3-(2-Naphthyl)-D-alanine | HY-W011154 | C72691 | (R)-2-(((Benzyloxy)carbonyl)amino)-3-(naphthalen-2-yl)propanoic acid | Z-3-(Naphthyl)-d-ala

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764590
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764590
• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)O
• IUPAC Name: (2R)-3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
• InChIKey: XBRPIBMAJOTVHG-LJQANCHMSA-N
• INCHI: 1S/C21H19NO4/c23-20(24)19(22-21(25)26-14-15-6-2-1-3-7-15)13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2,(H,22,25)(H,23,24)/t19-/m1/s1
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)O
• WGK Alemania: 3
• PubChem CID: 7018899
• Peso molecular: 349.38
• Beilstein: 5829411

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Benzyloxycarbonyls Alpha amino acids and derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzyloxycarbonyl - Naphthalene - Monocyclic benzene moiety - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Propiedades químicas y físicas

• Peso molecular: 349.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 349.131 Da
• Monoisotopic Mass: 349.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 475.000
• 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