5-[(1S,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pentanoic acid
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![5-[(1S,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/995875f0d00e43a2aac8b11718278606.png "5-[(1S,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pentanoic acid")
5-[(1S,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pentanoic acid
structure -
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CAS No:
130377-59-2
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Formula:
C26H36O5
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Chemical Name:
5-[(1S,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pentanoic acid
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Synonyms:
Homoisocarbacyclin;
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CAS No:
5-[(1S,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pentanoic acid Basic Attributes
428.56100
428.25627424
Computed Properties
Molecular Weight:428.6
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:428.25627424
Monoisotopic Mass:428.25627424
Topological Polar Surface Area:87
Heavy Atom Count:31
Complexity:646
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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