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Virginiaebutanolide C - ≥90% (LC/MS-ELSD), high purity , CAS No.109075-62-9
Basic Description
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
Specifications & Purity
≥90%(LC/MS-ELSD)
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Description
Natural product derived from fungal source.}
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
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.
Names and Identifiers
IUPAC Name
3-(1-hydroxyhexyl)-4-(hydroxymethyl)oxolan-2-one
INCHI
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
InChIKey
ONFPUQOPHZOEKF-UHFFFAOYSA-N
Smiles
CCCCCC(C1C(COC1=O)CO)O
Isomeric SMILES
CCCCCC(C1C(COC1=O)CO)O
PubChem CID
131000
UN Number
2811
Molecular Weight
216.27
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Molecular Weight
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
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