methyl 5-[(3aR,4R,5R,6aR)-4-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
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methyl 5-[(3aR,4R,5R,6aR)-4-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
structure -
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CAS No:
122744-25-6
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Formula:
C23H37IO5
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Chemical Name:
methyl 5-[(3aR,4R,5R,6aR)-4-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
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Synonyms:
5-Iodo-5,6-dihydro-15-deoxy-16-hydroxy-16-vinylprostacyclin; 5,6-Dihydro-5-iodo-15-deoxy-16-hydroxy-16-vinylprostaglandin I2; Prost-13-en-1-oic acid,6,9-epoxy-16-ethenyl-11,16-dihydroxy-5-iodo-,methyl ester,(9alpha,11alpha,13E);
- Categories:
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CAS No:
methyl 5-[(3aR,4R,5R,6aR)-4-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate Basic Attributes
520.44100
520.16857
Computed Properties
Molecular Weight:520.4
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:13
Exact Mass:520.16857
Monoisotopic Mass:520.16857
Topological Polar Surface Area:76
Heavy Atom Count:29
Complexity:566
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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