(1S,2S,3S,4R)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol
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![(1S,2S,3S,4R)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/04a1d453740740fbb870832010bd53a1.png "(1S,2S,3S,4R)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol")
(1S,2S,3S,4R)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol
structure -
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CAS No:
107033-06-7
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Formula:
C28H27N5O6
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Chemical Name:
(1S,2S,3S,4R)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol
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Synonyms:
107033-06-7;Adenosine, 2'-deoxy-N-((1S,2S,3S,4R)-1,2,3,4-tetrahydro-2,3,4-trihydroxybenzo(c)phenanthren-1-yl)-;Adenosine, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxybenzo(c)phenanthren-1-yl)-, (1S-(1alpha,2alpha,3beta,4alpha))-
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CAS No:
(1S,2S,3S,4R)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol Basic Attributes
529.5 g/mol
529.19613360 g/mol
Computed Properties
Molecular Weight:529.5
XLogP3:1.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:529.19613360
Monoisotopic Mass:529.19613360
Topological Polar Surface Area:166
Heavy Atom Count:39
Complexity:872
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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