Virginiaebutanolide C - ≥90%(LC/MS-ELSD) , CAS No.109075-62-9

CAS: 109075-62-9 Cat. No.: V463205 Summenformel: C₁₁H₂₀O₄ Molekulargewicht: 216.27 EG-Nummer: 802-509-0 PubChem CID: 131000

Synonyms

2-(1'-Hydroxyhexyl)-3-(hydroxymethyl)butanolide | SCHEMBL16431146 | Compound NP-001846 | Virginiamycin butanolide C | AKOS040740019 | 2(3H)-Furanone, dihydro-3-(1-hydroxyhexyl)-4-(hydroxymethyl)- | DTXSID50910983 | 3-(1-hydroxyhexyl)-4-(hydroxymethyl)oxol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Description

Natural product derived from fungal source.}

Specifications

Synonyme

2-(1'-Hydroxyhexyl)-3-(hydroxymethyl)butanolide | SCHEMBL16431146 | Compound NP-001846 | Virginiamycin butanolide C | AKOS040740019 | 2(3H)-Furanone, dihydro-3-(1-hydroxyhexyl)-4-(hydroxymethyl)- | DTXSID50910983 | 3-(1-hydroxyhexyl)-4-(hydroxymethyl)oxol

Spezifikationen & Reinheit

≥90%(LC/MS-ELSD)

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Kanonisches Lächeln: CCCCCC(C1C(COC1=O)CO)O
• IUPAC Name: 3-(1-hydroxyhexyl)-4-(hydroxymethyl)oxolan-2-one
• InChIKey: ONFPUQOPHZOEKF-UHFFFAOYSA-N
• INCHI: 1S/C11H20O4/c1-2-3-4-5-9(13)10-8(6-12)7-15-11(10)14/h8-10,12-13H,2-7H2,1H3
• Isomere SMILES: CCCCCC(C1C(COC1=O)CO)O
• PubChem CID: 131000
• UN-Nummer: 2811
• Molekulargewicht: 216.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Gamma butyrolactones Tetrahydrofurans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty alcohol - Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Lactone - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Molekulargewicht: 216.270 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 216.136 Da
• Monoisotopic Mass: 216.136 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 205.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1