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1,5-Pentylenediphosphonic Acid - 98%, high purity , CAS No.4672-25-7
Basic Description
Synonyms
1,5-PENTANEBISPHOSPHONIC ACID | Pentane-1,5-bisphosphonic Acid | (5-phosphonopentyl)phosphonic acid | 1,5-Pentanediphosphonic Acid | 1,5-Pentylenediphosphonic Acid, >/=98% | CS-0373728 | 1,5-Pentylenediphosphonic Acid | T72495 | 1,5-Pentylenebisphosphonic
Specifications & Purity
≥98%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphonic acids and derivatives
Subclass
Organic phosphonic acids
Intermediate Tree Nodes
Not available
Direct Parent
Organic phosphonic acids
Alternative Parents
Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Organophosphonic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504761852
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504761852
IUPAC Name
5-phosphonopentylphosphonic acid
INCHI
InChI=1S/C5H14O6P2/c6-12(7,8)4-2-1-3-5-13(9,10)11/h1-5H2,(H2,6,7,8)(H2,9,10,11)
InChIKey
QRKINCQKOGXVEO-UHFFFAOYSA-N
Smiles
C(CCP(=O)(O)O)CCP(=O)(O)O
Isomeric SMILES
C(CCP(=O)(O)O)CCP(=O)(O)O
PubChem CID
2773804
Molecular Weight
232.11
Reaxy-Rn
2416074
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Melt Point(°C)
156 °C
Molecular Weight
232.110 g/mol
XLogP3
-2.400
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Exact Mass
232.027 Da
Monoisotopic Mass
232.027 Da
Topological Polar Surface Area
115.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
203.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
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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G2301460