trisodium,(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
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![trisodium,(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0b8d24eb33454c7693ae75dbe3e68a20.png "trisodium,(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate")
trisodium,(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
structure -
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CAS No:
136098-00-5
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Formula:
C14H18NNa3O17S2
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Chemical Name:
trisodium,(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
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Synonyms:
|A-| currencyUA-2S-[1 inverted exclamation marku4]-GlcNAc-6S; Heparin disaccharide I-A sodium salt;
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CAS No:
trisodium,(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate Basic Attributes
605.38900
604.97092330
DTXSID70463603
Computed Properties
Molecular Weight:605.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:6
Exact Mass:604.97092330
Monoisotopic Mass:604.97092330
Topological Polar Surface Area:307
Heavy Atom Count:37
Complexity:966
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes
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