(7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
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![(7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2d1252527b9f4e6f89f7497d6bd94738.png "(7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol")
(7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
structure -
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CAS No:
72777-36-7
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Formula:
C30H27N5O6
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Chemical Name:
(7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
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Synonyms:
72777-36-7;DTXSID90993578;9-(2-Deoxypentofuranosyl)-N-(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl)-9H-purin-6-amine;Adenosine, 2'-deoxy-N-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)-, (7R-(7alpha,8beta,9beta,10alpha))-
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CAS No:
(7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol Basic Attributes
553.6 g/mol
553.19613360 g/mol
Computed Properties
Molecular Weight:553.6
XLogP3:2.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:553.19613360
Monoisotopic Mass:553.19613360
Topological Polar Surface Area:166
Heavy Atom Count:41
Complexity:964
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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