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(2R,3R,4S,5R)-2-[6-(benzo[b]pyren-6-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
(2R,3R,4S,5R)-2-[6-(benzo[b]pyren-6-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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![(2R,3R,4S,5R)-2-[6-(benzo[b]pyren-6-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8f2bc0642d8e49548bc464af52e4758a.png "(2R,3R,4S,5R)-2-[6-(benzo[b]pyren-6-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol")
(2R,3R,4S,5R)-2-[6-(benzo[b]pyren-6-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
structure -
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CAS No:
70682-25-6
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Formula:
C31H25N5O4
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Chemical Name:
(2R,3R,4S,5R)-2-[6-(benzo[b]pyren-6-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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Synonyms:
70682-25-6;DTXSID80990915;Adenosine, N-(benzo(a)pyren-6-ylmethyl)-;N-[(Benzo[pqr]tetraphen-6-yl)methyl]-9-pentofuranosyl-9H-purin-6-amine
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CAS No:
(2R,3R,4S,5R)-2-[6-(benzo[b]pyren-6-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Basic Attributes
531.6 g/mol
531.19065430 g/mol
Computed Properties
Molecular Weight:531.6
XLogP3:5.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:531.19065430
Monoisotopic Mass:531.19065430
Topological Polar Surface Area:126
Heavy Atom Count:40
Complexity:913
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (2R,3R,4S,5R)-2-[6-(benzo[b]pyren-6-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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