(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol
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![(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/648a024f3f794ca6b3d4abdd804ad19b.png "(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol")
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol
structure -
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CAS No:
116964-02-4
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Formula:
C22H28O13
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Chemical Name:
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol
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Synonyms:
Lawsoniaside;116964-02-4;(2R,2'R,3S,3'S,4S,4'S,5R,5'R,6S,6'S)-6,6'-((2-Hydroxynaphthalene-1,4-diyl)bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol);DTXSID40922217;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol;beta-D-Glucopyranoside, 2-hydroxy-1,4-naphthalenediyl bis-;4-(Hexopyranosyloxy)-2-hydroxynaphthalen-1-yl hexopyranoside
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CAS No:
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol Basic Attributes
500.4 g/mol
500.15299094 g/mol
Computed Properties
Molecular Weight:500.4
XLogP3:-1.5
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:500.15299094
Monoisotopic Mass:500.15299094
Topological Polar Surface Area:219
Heavy Atom Count:35
Complexity:684
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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