rel-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone
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![rel-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/842b9211c16e4624ac01d2514c638fe0.png "rel-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone")
rel-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone
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CAS No:
138551-27-6
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Formula:
C37H66O7
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Chemical Name:
rel-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone
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Synonyms:
2(5H)-Furanone,3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-,rel-;rel-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone;Motrilin
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CAS No:
rel-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone Basic Attributes
622.9 g/mol
622.92
Computed Properties
Molecular Weight:622.9
XLogP3:9.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:25
Exact Mass:622.48085444
Monoisotopic Mass:622.48085444
Topological Polar Surface Area:105
Heavy Atom Count:44
Complexity:801
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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