N-Carbobenzoxy-D-2-phenylglycine - ≥98%(HPLC) , CAS No.17609-52-8

CAS: 17609-52-8 Cat. No.: N159614 Molecular Weight: 285.3 Beilstein Registry Number: 2879380 EC Number: 241-582-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

Z-D-Phg-OH | Z-D-Phg-OH | (2R)-2-{[(benzyloxy)carbonyl]amino}-2-phenylethanoic acid | AC-26600 | Benzeneacetic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, (alphaR)- | SCHEMBL1362502 | MFCD00021703 | EN300-122133 | J-300367 | (R)-2-(((Benzyloxy)carbonyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Z-D-Phg-OH | Z-D-Phg-OH | (2R)-2-{[(benzyloxy)carbonyl]amino}-2-phenylethanoic acid | AC-26600 | Benzeneacetic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, (alphaR)- | SCHEMBL1362502 | MFCD00021703 | EN300-122133 | J-300367 | (R)-2-(((Benzyloxy)carbonyl

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488186403
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186403
• Canonical Smiles: C1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(=O)O
• IUPAC Name: (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
• InChIKey: RLDJWBVOZVJJOS-CQSZACIVSA-N
• INCHI: 1S/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m1/s1
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)N[C@H](C2=CC=CC=C2)C(=O)O
• WGK Germany: 3
• Molecular Weight: 285.3
• Beilstein: 2879380
• Reaxy-Rn: 2758883
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2758883&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 Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzyloxycarbonyl - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - 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

• Solubility: Soluble in Ethanol
• Specific Rotation[α]: -116° (C=1,EtOH)
• Melt Point(°C): 131 °C
• Molecular Weight: 285.290 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 285.1 Da
• Monoisotopic Mass: 285.1 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 346.000
• 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