4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid
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![4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/69ba916755d84e6d86a28c48b4103f32.png "4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid")
4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid
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CAS No:
120634-85-7
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Formula:
C34H48O12
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Chemical Name:
4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid
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Synonyms:
KS 502;KS-502;KS-502;KS 502;120634-85-7;DTXSID20923505;Benzoic acid, 2-(beta-D-galactofuranosyloxy)-6-heptyl-4-hydroxy-, 4-carboxy-3-heptyl-5-hydroxyphenyl ester;2-Heptyl-4-{[2-heptyl-6-(hexofuranosyloxy)-4-hydroxybenzoyl]oxy}-6-hydroxybenzoic acid
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CAS No:
4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid Basic Attributes
648.7 g/mol
648.31457696 g/mol
Computed Properties
Molecular Weight:648.7
XLogP3:7.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:20
Exact Mass:648.31457696
Monoisotopic Mass:648.31457696
Topological Polar Surface Area:203
Heavy Atom Count:46
Complexity:903
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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