CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Beige powder; [Sigma-Aldrich MSDS] |
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Collision Cross Section | 153.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
Chemical Classes | Biological Agents -> Amino Acids and Derivatives |
COMPUTED DESCRIPTORS
Molecular Weight | 246.26 g/mol |
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XLogP3 | 1.1 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 4 |
Exact Mass | 246.10044231 g/mol |
Monoisotopic Mass | 246.10044231 g/mol |
Topological Polar Surface Area | 82.2 Ų |
Heavy Atom Count | 18 |
Formal Charge | 0 |
Complexity | 332 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N-acetyltryptophan is an N-acetylamino acid that is the N-acetyl derivative of tryptophan. It has a role as a metabolite. It is a N-acetyl-amino acid and a tryptophan derivative. It is a conjugate acid of a N-acetyltryptophanate.
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