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Home > Encyclopedia > 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

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

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

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
  • CAS No:

    122744-25-6

  • Formula:

    C23H37IO5

  • 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

  • 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:

    Biochemical Engineering  >  Inflammation Mediators

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

Characteristics

75.99000

4.34140

1.373g/cm3

555.4ºC

289.7ºC

1.576

1.2E-14mmHg at 25°C

Drug Information

5,6-dihydro-5-iodo-15-deoxy-16-hydroxy-16-vinylprostaglandin I2

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

Guide of 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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