NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(4E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
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IUPAC Traditional name
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(4E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
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Synonyms
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(4E)-6-(1,3-Dihydro-4,6-dihydroxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid
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Demethylmycophenolic Acid
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Nor-O-methyl Mycophenolic Acid
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O-Desmethyl Mycophenolic Acid
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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5
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H Donor
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3
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LogD (pH = 5.5)
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1.5402563
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LogD (pH = 7.4)
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0.03288682
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Log P
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3.3817034
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Molar Refractivity
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80.7511 cm3
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Polarizability
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30.226276 Å3
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Polar Surface Area
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104.06 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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Acid pKa
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3.6562018
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DETAILS
DETAILS
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Nowak, I., et al.: Ther. Drug Monit., 19, 358 (1997)
- • Bullingham, R., et al.: Clin. Pharmacokinet., 34, 429 (1997)
- • Van Gelder, T., et al.: Ther. Drug Monit., 23, 119 (1997)
- • Wen, X., et al.: Drug Metab. Dispos., 30, 631 (1997)
- • Shipkova, M., et al.: Ther
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PATENTS
PATENTS
PubChem Patent
Google Patent