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

CAS: 773855-65-5 Cat. No.: P275471 Molecular Weight: 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

Overview

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

Specifications

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 |

Specifications & Purity

≥95%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C/C=C/C1=C(C(=O)C2=C(O1)[C@H](NC2=O)O)O
• PubChem CID: 16756786
• Molecular Weight: 223.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Molecular Weight: 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