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Methyl mycophenolate

CAT: 1410-M27089-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M27089-04Size:50 mg
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Description
Methyl mycophenolate is found in the marine fungus Phaeosphaeria spartinae. Methyl mycophenolate is the methyl ester form of mycophenolic acid.
CAS Number
31858-66-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
334.36
Molecular Formula
C18H22O6
Notes
Research use only, not for human use.
Receptor
M3 mAChR

Chemical Information

Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate
CAS Number31858-66-9
PubChem CID6478685
IUPAC Namemethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Molecular FormulaC18H22O6
Molecular Weight334.4
XLogP3.5
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity500
SMILES
CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OC)O
InChI
InChI=1S/C18H22O6/c1-10(6-8-14(19)22-3)5-7-12-16(20)15-13(9-24-18(15)21)11(2)17(12)23-4/h5,20H,6-9H2,1-4H3/b10-5+
InChIKey
ZPXRQFLATDNYSS-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate
CAS: 31858-66-9
CID: 6478685
Formula: C18H22O6
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass334.14163842
Monoisotopic Mass334.14163842
Topological Polar Surface Area82.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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