ETHANOL, 2-(2-BUTOXYETHOXY)-, PHOSPHATE, POTASSIUM SALT

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID90890992

Structure

InChI Key XYYBAJZIQGSOKS-UHFFFAOYSA-L
Smiles [K+].O=P([O-])([O-])OCCOCCOCCCC
InChI
InChI=1/C8H19O6P.K/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11;/h2-8H2,1H3,(H2,9,10,11);/q;+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H19O6P
Molecular Weight 279.04
AlogP -3.33
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 10.0
Polar Surface Area 90.88
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 68647-25-6
NORMAN SUSDAT
PubChem 173028
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