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Mycophenolic acid-d3

CAT: 0931-T12135-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T12135-01Size:1 mg
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CAS Number
1185242-90-3
Target
Anti-infection, Apoptosis, Endogenous Metabolite, Antifungal, Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology, Apoptosis, Metabolism
Bioactivity
Mycophenolic acid-d3 (Mycophenolate-d3) is a derivative of Mycophenolic acid. Mycophenolic acid is a compound that reduces GTP level and impacts transcription elongation of RNA polymerase II (RNAP II), promotes proximal site use and reverses the effect of cordyceps on selective polyadenylation.
Smiles
CC1=C2C(=C(O)C(CC=C(CCC(O)=O)C)=C1OC([2H])([2H])[2H])C(=O)OC2
Molecular Formula
C17H20O6
Molecular Weight
323.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mycophenolic Acid-d3
CAS Number1185242-90-3
PubChem CID45039976
IUPAC Name(E)-6-[4-hydroxy-7-methyl-3-oxo-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
Molecular FormulaC17H20O6
Molecular Weight323.35
XLogP3.2
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity485
SMILES
[2H]C([2H])([2H])OC1=C(C(=C2C(=C1C)COC2=O)O)C/C=C(\C)/CCC(=O)O
InChI
InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+/i3D3
InChIKey
HPNSFSBZBAHARI-HZIIEIAOSA-N
Chemical Structure
2D Structure
2D structure of Mycophenolic Acid-d3
CAS: 1185242-90-3
CID: 45039976
Formula: C17H20O6
MW: 323.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight323.35
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass323.14481859
Monoisotopic Mass323.14481859
Topological Polar Surface Area93.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity485
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes