2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid
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![2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7b306e1d9d6b41c1b6bb2bc31a9fdbca.png "2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid")
2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid
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CAS No:
153821-50-2
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Formula:
C36H52O12
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Chemical Name:
2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid
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Synonyms:
aquastatin A;Aquastatin A;153821-50-2;DTXSID40934850;4-{[4-(Hexopyranosyloxy)-2-hydroxy-6-pentadecylbenzoyl]oxy}-2-hydroxy-6-methylbenzoic acid
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CAS No:
2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid Basic Attributes
676.8 g/mol
676.34587709 g/mol
Computed Properties
Molecular Weight:676.8
XLogP3:9.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:21
Exact Mass:676.34587709
Monoisotopic Mass:676.34587709
Topological Polar Surface Area:203
Heavy Atom Count:48
Complexity:935
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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