Z-D-Dap-OH - ≥98% , CAS No.62234-37-1

CAS: 62234-37-1 Cat. No.: C304177 Formula: C₁₁H₁₄N₂O₄ Molecular Weight: 238.24

GRADE & PURITY ≥98%

Synonyms

(R)-3-Amino-2-benzyloxycarbonylamino-propionic acid | (R)-3-Amino-2-Cbz-Aminopropanoic Acid | (R)-3-AMINO-2-(CBZ-AMINO)PROPANOIC ACID | AMY22580 | MFCD00237346 | N.alpha.-Z-D-2,3-Diaminopropionic acid | N-ALPHA-BENZYLOXYCARBONYL-D-2,3-DIAMINOPROPIONIC ACI

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(R)-3-Amino-2-benzyloxycarbonylamino-propionic acid | (R)-3-Amino-2-Cbz-Aminopropanoic Acid | (R)-3-AMINO-2-(CBZ-AMINO)PROPANOIC ACID | AMY22580 | MFCD00237346 | N.alpha.-Z-D-2,3-Diaminopropionic acid | N-ALPHA-BENZYLOXYCARBONYL-D-2,3-DIAMINOPROPIONIC ACI

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

488195905

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195905

Canonical Smiles

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

IUPAC Name

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

InChIKey

FOXRXVSTFGNURG-SECBINFHSA-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-/m1/s1

Isomeric SMILES

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

WGK Germany

3

Molecular Weight

238.24

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
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Alpha amino acids and derivatives Quaternary ammonium salts Carbamate esters Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzyloxycarbonyl - Carbamic acid ester - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Primary aliphatic amine - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): ~240 °C
• Molecular Weight: 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