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13100-82-8

13100-82-8 structural image
Product Name: CYSTEIC ACID
Formula: C3H7NO5S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index]
Collision Cross Section 140.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Chemical Classes Other Uses -> Biochemical Research

COMPUTED DESCRIPTORS

Molecular Weight 169.16 g/mol
XLogP3 -4.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 169.00449350 g/mol
Monoisotopic Mass 169.00449350 g/mol
Topological Polar Surface Area 126 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 214
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

Cysteic acid is an amino sulfonic acid that is the sulfonic acid analogue of cysteine. It has a role as an animal metabolite. It is an alanine derivative, an amino sulfonic acid, a carboxyalkanesulfonic acid, a cysteine derivative and a non-proteinogenic alpha-amino acid.