3-[3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxydecanoyloxy]octanoic acid
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![3-[3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxydecanoyloxy]octanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8f977f2a340346d886ee9296ba770002.png "3-[3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxydecanoyloxy]octanoic acid")
3-[3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxydecanoyloxy]octanoic acid
structure -
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CAS No:
154886-57-4
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Formula:
C30H54O13
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Chemical Name:
3-[3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxydecanoyloxy]octanoic acid
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Synonyms:
UNII-R87F88A9AU;R87F88A9AU;RHA2 C10-C8;UNII-PB22NX2CJL component ATACWBXCJMCEBE-SCCWKLAGSA-N;154886-57-4;Decanoic acid, 3-((6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-, 1-(carboxymethyl)hexyl ester
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CAS No:
3-[3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxydecanoyloxy]octanoic acid Basic Attributes
622.7 g/mol
622.35644177 g/mol
R87F88A9AU
Computed Properties
Molecular Weight:622.7
XLogP3:2.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:20
Exact Mass:622.35644177
Monoisotopic Mass:622.35644177
Topological Polar Surface Area:202
Heavy Atom Count:43
Complexity:813
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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