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Tyrosinase-IN-5

CAT: 0013-GTR19187120-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187120-01Size:25 mg
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Description
Tyrosinase-IN-5
CAS Number
2525175-90-8
Field of Research
Protein Biochemistry
Smiles
O (CC1=CN (CC2=CC (=O) C (O) =CO2) N=N1) C=3C=4C (OC (=O) C3) =CC=CC4
Molecular Formula
C18H13N3O6
Molecular Weight
367.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tyrosinase-IN-5
CAS Number2525175-90-8
PubChem CID163408785
IUPAC Name4-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]triazol-4-yl]methoxy]chromen-2-one
Molecular FormulaC18H13N3O6
Molecular Weight367.3
XLogP0.6
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity716
SMILES
C1=CC=C2C(=C1)C(=CC(=O)O2)OCC3=CN(N=N3)CC4=CC(=O)C(=CO4)O
InChI
InChI=1S/C18H13N3O6/c22-14-5-12(25-10-15(14)23)8-21-7-11(19-20-21)9-26-17-6-18(24)27-16-4-2-1-3-13(16)17/h1-7,10,23H,8-9H2
InChIKey
QZGMNWXEWODPIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tyrosinase-IN-5
CAS: 2525175-90-8
CID: 163408785
Formula: C18H13N3O6
MW: 367.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.3
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass367.08043514
Monoisotopic Mass367.08043514
Topological Polar Surface Area113 Ų
Heavy Atom Count27
Formal Charge0
Complexity716
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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