4-(benzo[b]pyren-6-ylmethylamino)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
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![4-(benzo[b]pyren-6-ylmethylamino)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3c6be8d0ba1341c4ab50fda72e331cc4.png "4-(benzo[b]pyren-6-ylmethylamino)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one")
4-(benzo[b]pyren-6-ylmethylamino)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
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CAS No:
70682-27-8
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Formula:
C30H25N3O5
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Chemical Name:
4-(benzo[b]pyren-6-ylmethylamino)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
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Synonyms:
70682-27-8;DTXSID00990917;Cytidine, N-(benzo(a)pyren-6-ylmethyl)-;4-{[(Benzo[pqr]tetraphen-6-yl)methyl]imino}-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol
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CAS No:
4-(benzo[b]pyren-6-ylmethylamino)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one Basic Attributes
507.5 g/mol
507.17942091 g/mol
Computed Properties
Molecular Weight:507.5
XLogP3:4.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:507.17942091
Monoisotopic Mass:507.17942091
Topological Polar Surface Area:115
Heavy Atom Count:38
Complexity:972
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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