O-(Octylphosphoryl)choline solution

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Molecular Formula:

C13H30NO4P

Molecular Weight:

295.36

CAS Number:

53255-89-3

Catalog Number:

53255-89-3

Product Information

Molecular Formula:

C13H30NO4P

Molecular Weight:

295.36

Description

Zwitterionic detergent used for protein solubilization

Synonyms

Detergent Screening Solution 33/Fluka kit no 66317, Phosphocholine octyl ester

IUPAC Name

octyl 2-(trimethylazaniumyl)ethyl phosphate

Canonical SMILES

CCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C13H30NO4P/c1-5-6-7-8-9-10-12-17-19(15,16)18-13-11-14(2,3)4/h5-13H2,1-4H3

InChI Key

MDNHUELOANFCGT-UHFFFAOYSA-N

Flash Point

230 °F

Purity

≥97.0% (dried material, CHN)

Appearance

Pale yellow clear solution

Storage

2-8°C

Computed Properties

XLogP3

2.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

295.19124544 g/mol

Monoisotopic Mass

295.19124544 g/mol

Topological Polar Surface Area

58.6Å²

Heavy Atom Count

Formal Charge

Complexity

258

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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O-(Octylphosphoryl)choline solution

Product Information

Computed Properties

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