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UK-157147 10mg

CAT: 0628-A12455-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A12455-10Size:10 mg
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CAS Number
162704-20-3

Chemical Information

UK-157147

a substrate of UDP-glucuronosyltransferases; structure in first source

CAS Number162704-20-3
PubChem CID9869402
IUPAC Name6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one
Molecular FormulaC23H24N2O7S
Molecular Weight472.5
XLogP1.8
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity941
SMILES
C[C@@]1([C@@H](C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)O)OC1(C)C)OC4=NN(C(=O)C=C4)C)O
InChI
InChI=1S/C23H24N2O7S/c1-22(2)23(3,28)21(31-19-10-11-20(27)25(4)24-19)17-13-16(8-9-18(17)32-22)33(29,30)15-7-5-6-14(26)12-15/h5-13,21,26,28H,1-4H3/t21-,23+/m1/s1
InChIKey
MOZBVDKKWDXRGH-GGAORHGYSA-N
Chemical Structure
2D Structure
2D structure of UK-157147
CAS: 162704-20-3
CID: 9869402
Formula: C23H24N2O7S
MW: 472.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass472.13042228
Monoisotopic Mass472.13042228
Topological Polar Surface Area134 Ų
Heavy Atom Count33
Formal Charge0
Complexity941
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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