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(2R,3S,5R)-5-[6-(benzo[b]pyren-6-ylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
(2R,3S,5R)-5-[6-(benzo[b]pyren-6-ylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
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![(2R,3S,5R)-5-[6-(benzo[b]pyren-6-ylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/59e7c08cd8ae4439b2f9ad324369b8a3.png "(2R,3S,5R)-5-[6-(benzo[b]pyren-6-ylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol")
(2R,3S,5R)-5-[6-(benzo[b]pyren-6-ylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
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CAS No:
118248-07-0
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Formula:
C30H23N5O3
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Chemical Name:
(2R,3S,5R)-5-[6-(benzo[b]pyren-6-ylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
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Synonyms:
118248-07-0;DTXSID30922645;Adenosine, N-benzo(a)pyren-6-yl-2'-deoxy-;N-(Benzo[pqr]tetraphen-6-yl)-9-(2-deoxypentofuranosyl)-9H-purin-6-amine
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CAS No:
(2R,3S,5R)-5-[6-(benzo[b]pyren-6-ylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol Basic Attributes
501.5 g/mol
501.18008961 g/mol
Computed Properties
Molecular Weight:501.5
XLogP3:5.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:501.18008961
Monoisotopic Mass:501.18008961
Topological Polar Surface Area:105
Heavy Atom Count:38
Complexity:864
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (2R,3S,5R)-5-[6-(benzo[b]pyren-6-ylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
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