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N-Acetyl-D-cysteine

CAT: 0127-BUP13629-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13629-01Size:10 mg
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CAS Number
26117-28-2
Purity
=98%
Smiles
CC(=O)N[C@H](CS)C(O)=O

Chemical Information

N-Acetyl-D-cysteine

N-Acetyl-D-cysteine is a N-acyl-amino acid.

CAS Number26117-28-2
PubChem CID94364
IUPAC Name(2S)-2-acetamido-3-sulfanylpropanoic acid
Molecular FormulaC5H9NO3S
Molecular Weight163.20
XLogP0.4
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity148
SMILES
CC(=O)N[C@H](CS)C(=O)O
InChI
InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m1/s1
InChIKey
PWKSKIMOESPYIA-SCSAIBSYSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl-D-cysteine
CAS: 26117-28-2
CID: 94364
Formula: C5H9NO3S
MW: 163.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.20
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass163.03031432
Monoisotopic Mass163.03031432
Topological Polar Surface Area67.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes