Pyranonigrin A - ≥95% , CAS No.773855-65-5

CAS: 773855-65-5 Cat. No.: P275471 Peso molecular: 223.18 PubChem CID: 16756786

GRADE & PURITY ≥95%

Synonyms

(7R)-6,7-dihydro-3,7-dihydroxy-2-(1E)-1-propen-1-yl-pyrano[2,3-c]pyrrole-4,5-dione | CS-0105857 | Pyranonigrin A | (7R)-3,7-dihydroxy-2-[(E)-prop-1-enyl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione | DTXSID501017485 | HY-126604 | 7-hydroxy Pyranonigrin S |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

(7R)-6, 7-dihydro-3, 7-dihydroxy-2-(1E)-1-propen-1-yl-pyrano[2, 3-c]pyrrole-4, 5-dione | CS-0105857 | Pyranonigrin A | (7R)-3, 7-dihydroxy-2-[(E)-prop-1-enyl]-6, 7-dihydropyrano[2, 3-c]pyrrole-4, 5-dione | DTXSID501017485 | HY-126604 | 7-hydroxy Pyranonigrin S |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC=CC1=C(C(=O)C2=C(O1)C(NC2=O)O)O
• IUPAC Name: (7R)-3,7-dihydroxy-2-[(E)-prop-1-enyl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
• InChIKey: OALBJWDVDNROSF-VMZHVLLKSA-N
• INCHI: 1S/C10H9NO5/c1-2-3-4-6(12)7(13)5-8(16-4)10(15)11-9(5)14/h2-3,10,12,15H,1H3,(H,11,14)/b3-2+/t10-/m1/s1
• Isómeros SMILES: C/C=C/C1=C(C(=O)C2=C(O1)[C@H](NC2=O)O)O
• PubChem CID: 16756786
• Peso molecular: 223.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrans
      • Subclass Pyranones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrans
• Subclass: Pyranones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranones and derivatives
• Alternative Parents: Heteroaromatic compounds Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Alkanolamines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranone - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Oxacycle - Azacycle - Alkanolamine - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO
• Peso molecular: 223.180 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 223.048 Da
• Monoisotopic Mass: 223.048 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 472.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1