PHOSPHONIC ACID, TETRADECYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TU4EHR9XDW
EPA CompTox DTXSID7063550

Structure

InChI Key BVQJQTMSTANITJ-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCP(=O)(O)O
InChI
InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H31O3P1
Molecular Weight 278.2
AlogP 4.87
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 57.53
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 4671-75-4
NORMAN SUSDAT
FDA SRS TU4EHR9XDW
PubChem 78401
ChemSpider 70770.0
CONTENTS