D-erythro-7,8-dihydrobiopterin - ≥98% , CAS No.1262750-77-5

CAS: 1262750-77-5 Cat. No.: D1300439 Molecular Weight: 239.23

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[C@H]([C@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O
• IUPAC Name: 2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one
• InChIKey: FEMXZDUTFRTWPE-AWFVSMACSA-N
• INCHI: 1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m1/s1
• Molecular Weight: 239.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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 Secondary alcohols Ketimines 1,2-diols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biopterin - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - 1,2-diol - Ketimine - Secondary alcohol - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Imine - Organopnictogen compound - Organic nitrogen compound - Alcohol - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: 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: 7,8-dihydrobiopterin

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: 239.230 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 239.102 Da
• Monoisotopic Mass: 239.102 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 454.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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