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Poly(3-hydroxybutyric acid-co-3-hydroxyvaleric acid) - natural origin, PHV content 8mol %, high purity , CAS No.80181-31-3
Basic Description
Synonyms
3-hydroxybutanoic acid;3-hydroxypentanoic acid | SCHEMBL451545 | NSC 179698 | P(HB-co-HV) | NSC179698 | NSC-179698 | IUPHTVOTTBREAV-UHFFFAOYSA-N | Biopol
Specifications & Purity
natural origin, PHV content 8mol %
Product Description
Product Application:
Biodegradable polymers
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxy fatty acids
Alternative Parents
Short-chain hydroxy acids and derivatives Methyl-branched fatty acids Beta hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Methyl-branched fatty acid - Short-chain hydroxy acid - Hydroxy fatty acid - Branched fatty acid - Beta-hydroxy acid - Hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.
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
Pubchem Sid
504756631
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504756631
IUPAC Name
3-hydroxybutanoic acid;3-hydroxypentanoic acid
INCHI
InChI=1S/C5H10O3.C4H8O3/c1-2-4(6)3-5(7)8;1-3(5)2-4(6)7/h4,6H,2-3H2,1H3,(H,7,8);3,5H,2H2,1H3,(H,6,7)
InChIKey
IUPHTVOTTBREAV-UHFFFAOYSA-N
Smiles
CCC(CC(=O)O)O.CC(CC(=O)O)O
Isomeric SMILES
CCC(CC(=O)O)O.CC(CC(=O)O)O
PubChem CID
107801
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Melt Point(°C)
165 °C
Molecular Weight
222.240 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
222.11 Da
Monoisotopic Mass
222.11 Da
Topological Polar Surface Area
115.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
149.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Citations of This Product
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1 Citations
D2525340