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Acetyl-D-tyrosine

CAT: 0926-FA48154-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FA48154-01Size:0.5 g
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CAS Number
19764-32-0
Synonyms
Ac-D-Tyr-OH
MDL Number
MFCD00063037
Smiles
CC (=O) N[C@H] (CC1=CC=C (C=C1) O) C (=O) O
Molecular Formula
C11H13NO4
Molecular Weight
223.23 g/mol
Controlled
No

Chemical Information

N-Acetyl-D-tyrosine

N-Acetyl-D-tyrosine is a metabolite found in or produced by Saccharomyces cerevisiae.

CAS Number19764-32-0
PubChem CID853750
IUPAC Name(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid
Molecular FormulaC11H13NO4
Molecular Weight223.22
XLogP-0.2
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity259
SMILES
CC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m1/s1
InChIKey
CAHKINHBCWCHCF-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl-D-tyrosine
CAS: 19764-32-0
CID: 853750
Formula: C11H13NO4
MW: 223.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.22
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass223.08445790
Monoisotopic Mass223.08445790
Topological Polar Surface Area86.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity259
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

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