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Dibutyl phosphate

CAT: 0013-GTR19267509-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19267509-02Size:10 mg
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Description
Dibutyl phosphate (DBUP) is a metabolite of organophosphate esters (OPEs) found in urine. The presence of dibutyl phosphate is positively correlated with an increased risk of sarcopenia.
CAS Number
107-66-4
Field of Research
Metabolism Research
Smiles
O=P (O) (OCCCC) OCCCC
Molecular Formula
C8H19O4P
Molecular Weight
210.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dibutyl phosphate

Dibutyl phosphate is a dialkyl phosphate.

CAS Number107-66-4
PubChem CID7881
IUPAC Namedibutyl hydrogen phosphate
Molecular FormulaC8H19O4P
Molecular Weight210.21
XLogP1.5
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity146
SMILES
CCCCOP(=O)(O)OCCCC
InChI
InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)
InChIKey
JYFHYPJRHGVZDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibutyl phosphate
CAS: 107-66-4
CID: 7881
Formula: C8H19O4P
MW: 210.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.21
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass210.10209608
Monoisotopic Mass210.10209608
Topological Polar Surface Area55.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity146
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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