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Chemical structure of 13C17-Mycophenolic Acid

GC49759

13C17-Mycophenolic Acid

Also known as (E)-6-(4-hydroxy-6-(113C)methoxy-7-(113C)methyl-3-oxo-1H-2-benzofuran-5-yl)-4-(113C)methyl(1,2,3,4,5,6-13C6)hex-4-enoic acid

An internal standard for the quantification of mycophenolic acid

ChemicalCAS1202866-92-9MW337.2Formula[13C]17H20O6
CAS number
1202866-92-9
Molecular weight
337.2
Formula
[13C]17H20O6
Solubility
Acetonitrile： soluble
InChIKey
HPNSFSBZBAHARI-RUCQXSASSA-N
Catalogue number
GC49759
Brand
GLPBIO
Computed properties PubChem CID 71312440 · XLogP 3.2 · TPSA 93.1 Ų · H-bond donors 2
XLogP
3.2
TPSA
93.1 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23

SMILES [13CH3][13C]1=[13C]2[13CH2]O[13C](=O)[13C]2=[13C]([13C](=[13C]1O[13CH3])[13CH2]/[13CH]=[13C](\[13CH3])/[13CH2][13CH2][13C](=O)O)O

Computed descriptors from PubChem (CID 71312440), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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