(3R,5R)-5-[5-[(2R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R)-5-(1-hydroxytridecyl)oxolan-2-yl]butyl]oxolan-2-yl]pentyl]-3-(2-oxopropyl)oxolan-2-one
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![(3R,5R)-5-[5-[(2R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R)-5-(1-hydroxytridecyl)oxolan-2-yl]butyl]oxolan-2-yl]pentyl]-3-(2-oxopropyl)oxolan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7289925bb42d4a9daa9a9a99617becb1.png "(3R,5R)-5-[5-[(2R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R)-5-(1-hydroxytridecyl)oxolan-2-yl]butyl]oxolan-2-yl]pentyl]-3-(2-oxopropyl)oxolan-2-one")
(3R,5R)-5-[5-[(2R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R)-5-(1-hydroxytridecyl)oxolan-2-yl]butyl]oxolan-2-yl]pentyl]-3-(2-oxopropyl)oxolan-2-one
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CAS No:
196090-62-7
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Formula:
C37H66O8
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Chemical Name:
(3R,5R)-5-[5-[(2R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R)-5-(1-hydroxytridecyl)oxolan-2-yl]butyl]oxolan-2-yl]pentyl]-3-(2-oxopropyl)oxolan-2-one
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Synonyms:
196090-62-7;2,4-cis-Gigantecinone;DTXSID10941379;2(3H)-Furanone, 5-(5-(5-(1,4-dihydroxy-4-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)butyl)tetrahydro-2-furanyl)pentyl)dihydro-3-(2-oxopropyl)-, (2R-(2alpha(1S*(2R*(3R*,5R*),5S*),4R*),5alpha(R*)))-;5-[5-(5-{1,4-Dihydroxy-4-[5-(1-hydroxytridecyl)oxolan-2-yl]butyl}oxolan-2-yl)pentyl]-3-(2-oxopropyl)oxolan-2-one
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CAS No:
(3R,5R)-5-[5-[(2R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R)-5-(1-hydroxytridecyl)oxolan-2-yl]butyl]oxolan-2-yl]pentyl]-3-(2-oxopropyl)oxolan-2-one Basic Attributes
638.9 g/mol
638.47576906 g/mol
Computed Properties
Molecular Weight:638.9
XLogP3:7.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:25
Exact Mass:638.47576906
Monoisotopic Mass:638.47576906
Topological Polar Surface Area:123
Heavy Atom Count:45
Complexity:820
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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