Hexynoic acid STP ester

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Hexynoic acid STP ester

Hexynoic acid STP ester

Catalog Number R16-0066
Category BCN
Molecular Formula C12H7F4O5SNa
Molecular Weight 362.23
Catalog Number Size Price Quantity
R16-0066 -- $--

Product Introduction

Alkyne activated ester for the labeling of amine groups in proteins, peptides and other molecules bearing aliphatic amine functional groups.,Sulfotetrafluorophenyl (STP) esters are excellent alternatives to conventional N-hydroxysuccinimide (NHS) esters. Compared to NHS esters, STP esters provide better ratio of labeling to hydrolysis in aqueous environments.,Hexynoic acid fragment is a short linker with amine. For longer amine linkers, consider using Alkyne-PEG activated esters.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 2,3,5,6-tetrafluoro-4-hex-5-ynoyloxybenzenesulfonate
Canonical SMILES C#CCCCC(=O)OC1=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F
InChI InChI=1S/C12H8F4O5S/c1-2-3-4-5-6(17)21-11-7(13)9(15)12(22(18,19)20)10(16)8(11)14/h1H,3-5H2,(H,18,19,20)/p-1
InChI Key REZIFUYKIHTOIL-UHFFFAOYSA-M
Solubility Good in water, DMF, DMSO
Appearance White solid
  • Product Specification
Mass Spec M+ Increment 94.04
Storage Storage: 12 months after receival at -20 °C in the Dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate.

Computed Properties

XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 5
Exact Mass 338.99503214 g/mol
Monoisotopic Mass 338.99503214 g/mol
Topological Polar Surface Area 91.9Ų
Heavy Atom Count 22
Formal Charge -1
Complexity 522
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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