462-10-2
Product Name:
Homocystine
Formula:
C8H16N2O4S2
Synonyms:
meso-4,4′-Dithio-bis(2-aminobutanoic acid);L -4,4′-Dithiobis(2-aminobutanoic acid)
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS] |
|---|---|
| Melting Point | 263 - 265 °C |
| Collision Cross Section | 157.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Chemical Classes | Biological Agents -> Amino Acids and Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 268.4 g/mol |
|---|---|
| XLogP3 | -5.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 268.05514934 g/mol |
| Monoisotopic Mass | 268.05514934 g/mol |
| Topological Polar Surface Area | 177 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 216 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Homocystine is an organic disulfide obtained by oxidative dimerisation of homocysteine. It has a role as a human metabolite. It is a tautomer of a homocystine zwitterion.