(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-[3-(phosphonomethylsulfanyl)propylsulfanyl]oxane-2-carboxylic acid
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![(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-[3-(phosphonomethylsulfanyl)propylsulfanyl]oxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/31ba49896f98427089eaa78b1a2c0d9c.png "(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-[3-(phosphonomethylsulfanyl)propylsulfanyl]oxane-2-carboxylic acid")
(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-[3-(phosphonomethylsulfanyl)propylsulfanyl]oxane-2-carboxylic acid
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CAS No:
131853-21-9
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Formula:
C12H23O10PS2
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Chemical Name:
(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-[3-(phosphonomethylsulfanyl)propylsulfanyl]oxane-2-carboxylic acid
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Synonyms:
3-deoxy-beta-manno-2-octulosonic acid thioglycoside;beta-KDO thioglycoside;131853-21-9;beta-Kdo thioglycoside;DTXSID70927371;3-Deoxy-beta-manno-2-octulosonic acid thioglycoside;3-[(Phosphonomethyl)sulfanyl]propyl 3-deoxy-2-thiooct-2-ulopyranosidonic acid
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CAS No:
(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-[3-(phosphonomethylsulfanyl)propylsulfanyl]oxane-2-carboxylic acid Basic Attributes
422.4 g/mol
422.04702627 g/mol
Computed Properties
Molecular Weight:422.4
XLogP3:-2.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:422.04702627
Monoisotopic Mass:422.04702627
Topological Polar Surface Area:236
Heavy Atom Count:25
Complexity:489
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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