CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; [Merck Index] White crystalline solid; [Sigma-Aldrich MSDS] |
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Melting Point | 253 - 256 °C |
Solubility | 384 mg/mL |
Collision Cross Section | 151 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 | 226.23 g/mol |
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XLogP3 | -4 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 6 |
Exact Mass | 226.10659032 g/mol |
Monoisotopic Mass | 226.10659032 g/mol |
Topological Polar Surface Area | 121 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 259 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
Description
Carnosine is a dipeptide that is the N-(beta-alanyl) derivative of L-histidine. It has a role as an anticonvulsant, an antioxidant, an antineoplastic agent, a human metabolite, a Daphnia magna metabolite, a mouse metabolite, a neuroprotective agent and a geroprotector. It is a conjugate acid of a carnosinate and a tautomer of a carnosine zwitterion.