(2S)-4-[7-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
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![(2S)-4-[7-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/051eb63d9c9f4e38a0cee3693bd0f270.png "(2S)-4-[7-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one")
(2S)-4-[7-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
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CAS No:
143572-82-1
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Formula:
C37H66O7
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Chemical Name:
(2S)-4-[7-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
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Synonyms:
4-deoxygigantecin;4-deoxygigantecin;143572-82-1;( )-4-Deoxygigantecin;DTXSID90931955;2(5H)-Furanone, 3-(7-(5-(1,4-dihydroxy-4-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)butyl)tetrahydro-2-furanyl)heptyl)-5-methyl-, (2R-(2alpha(S*),5beta(1S*,4R*(2R*,5R*(R*)))))-;3-[7-(5-{1,4-Dihydroxy-4-[5-(1-hydroxytridecyl)oxolan-2-yl]butyl}oxolan-2-yl)heptyl]-5-methylfuran-2(5H)-one
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CAS No:
(2S)-4-[7-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one Basic Attributes
622.9 g/mol
622.48085444 g/mol
Computed Properties
Molecular Weight:622.9
XLogP3:9.7
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:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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