Streptimidone , CAS No.738-72-7

CAS: 738-72-7 Cat. No.: S1315789 Molecular Weight: 293.36

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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.

Names and Identifiers

• Canonical Smiles: C[C@@H](/C=C(\C)/C=C)C(=O)C[C@@H](CC1CC(=O)NC(=O)C1)O
• IUPAC Name: 4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione
• InChIKey: ZRYKVDWGQVQRPG-RUMBLXRPSA-N
• INCHI: 1S/C16H23NO4/c1-4-10(2)5-11(3)14(19)9-13(18)6-12-7-15(20)17-16(21)8-12/h4-5,11-13,18H,1,6-9H2,2-3H3,(H,17,20,21)/b10-5+/t11-,13+/m0/s1
• Molecular Weight: 293.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinediones
• Alternative Parents: Delta lactams Beta-hydroxy ketones N-unsubstituted carboxylic acid imides Dicarboximides Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinedione - Delta-lactam - Beta-hydroxy ketone - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Secondary alcohol - Lactam - Ketone - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinediones. These are compounds containing a piperidine ring which bears two ketones.
• 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

• Molecular Weight: 293.360 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 293.163 Da
• Monoisotopic Mass: 293.163 Da
• Topological Polar Surface Area: 83.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 451.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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