Sapropterin - ≥97% , CAS No.62989-33-7

CAS: 62989-33-7 Cat. No.: S1074102 Número EC: 636-312-4 PubChem CID: 135398654

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O
• IUPAC Name: (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
• InChIKey: FNKQXYHWGSIFBK-RPDRRWSUSA-N
• INCHI: 1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1
• Isómeros SMILES: C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O
• CAS alternativo: 62989-33-7,27070-47-9
• PubChem CID: 135398654
• Términos de entrada MeSH: 1-butanone, 1-(2,4,5-trihydroxyphenyl);2',4',5'-trihydroxybutyrophenone;2,4,5-trihydroxybutyrophenone;5,6,7,8-erythro-tetrahydrobiopterin;5,6,7,8-tetrahydro-L-erythrobiopterin;5,6,7,8-tetrahydrobiopterin;5,6,7,8-tetrahydrobiopterin, (S-(R*,S*))-isomer;5,6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pteridines and derivatives
      • Subclass Pterins and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pteridines and derivatives
• Subclass: Pterins and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biopterins and derivatives
• Alternative Parents: Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds 1,3-aminoalcohols Secondary alcohols 1,2-diols 1,2-aminoalcohols Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biopterin - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Pyrimidine - 1,3-aminoalcohol - Vinylogous amide - Heteroaromatic compound - Secondary alcohol - 1,2-diol - 1,2-aminoalcohol - Secondary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.
• External Descriptors: Coenzymes

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: 241.250 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 241.117 Da
• Monoisotopic Mass: 241.117 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 405.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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