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Home > Encyclopedia > 6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOICACIDMETHYLESTER

6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOICACIDMETHYLESTER

6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOICACIDMETHYLESTER structure

6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOICACIDMETHYLESTER 

structure
  • CAS No:

    33431-38-8

  • Formula:

    C17H20O6

  • Chemical Name:

    6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOICACIDMETHYLESTER

  • Synonyms:

    6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOIC ACID METHYL ESTER;O-DesMethyl Mycophenolic Acid Methyl Ester;(4E)-6-(1,3-Dihydro-4,6-dihydroxy-7-Methyl-3-oxo-5-isobenzofuranyl)-4-Methyl-4-hexenoic Acid Methyl Ester;DeMethylMycophenolic Acid Methyl Ester;Nor-O-Methyl Mycophenolic Acid Methyl Ester;Mycophenolate Impurity 5;Mycophenolate Mofetil Impurity 5;methyl ester of (E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methyl-4-hexenoic acid

  • Categories:

    Analytical Chemistry  >  Standard

6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOICACIDMETHYLESTER Basic Attributes

320.34

320.12598835

Characteristics

93.06000

2.51860

1.291±0.06 g/cm3

544.1±50.0 °C(Predicted)

8.26±0.20

6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOICACIDMETHYLESTER Use and Manufacturing

Protected metabolite of Mycophenolic Acid.

Computed Properties

Molecular Weight:320.3
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:320.12598835
Monoisotopic Mass:320.12598835
Topological Polar Surface Area:93.1
Heavy Atom Count:23
Complexity:486
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOICACIDMETHYLESTER

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