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

CAS: 109075-62-9 Cat. No.: V463205 Formule: C₁₁H₂₀O₄ Poids moléculaire: 216.27 Numéro CE: 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

Vue d’ensemble

Description

Natural product derived from fungal source.}

Specifications

Synonymes

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

Spécifications et pureté

≥90%(LC/MS-ELSD)

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CCCCCC(C1C(COC1=O)CO)O

PubChem CID

131000

Numéro ONU

2811

Poids moléculaire

216.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Poids moléculaire: 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