D-Citrulline - Moligand™, ≥99% , CAS No.13594-51-9

CAS: 13594-51-9 Cat. No.: D134801 Molecular Weight: 175.19 Beilstein Registry Number: 1725415 EC Number: 898-193-7

GRADE & PURITY Moligand™, ≥99%

Synonyms

(2R)-2-amino-5-ureido-pentanoic acid | Citrulline, D- | Z,D-CITRULLINE | A807006 | AKOS016843011 | NSC-206276 | D-Citrulline | EN300-7358469 | D-Citruline | D-Ornithine, N5-(aminocarbonyl)- | SCHEMBL437142 | J-300336 | (R)-2-Amino-5-ureidopentanoic acid |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(2R)-2-amino-5-ureido-pentanoic acid | Citrulline, D- | Z, D-CITRULLINE | A807006 | AKOS016843011 | NSC-206276 | D-Citrulline | EN300-7358469 | D-Citruline | D-Ornithine, N5-(aminocarbonyl)- | SCHEMBL437142 | J-300336 | (R)-2-Amino-5-ureidopentanoic acid |

Specifications & Purity

Moligand™, ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504759629
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759629
• Canonical Smiles: C(CC(C(=O)O)N)CNC(=O)N
• IUPAC Name: (2R)-2-amino-5-(carbamoylamino)pentanoic acid
• InChIKey: RHGKLRLOHDJJDR-SCSAIBSYSA-N
• INCHI: 1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1
• Isomeric SMILES: C(C[C@H](C(=O)O)N)CNC(=O)N
• WGK Germany: 3
• Molecular Weight: 175.19
• Beilstein: 1725415
• Reaxy-Rn: 1725417
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725417&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 D-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: D-alpha-amino acids
• Alternative Parents: Fatty acids and conjugates Ureas Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: D-alpha-amino acid - Fatty acid - Carbonic acid derivative - Urea - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom.
• External Descriptors: citrulline

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

• Molecular Weight: 175.190 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 175.096 Da
• Monoisotopic Mass: 175.096 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 171.000
• 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