1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl)amino]pyrimidin-2-one
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![1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl)amino]pyrimidin-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e5180a518a724404abc65a3d6dd218a1.png "1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl)amino]pyrimidin-2-one")
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl)amino]pyrimidin-2-one
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CAS No:
85202-15-9
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Formula:
C29H27N3O7
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Chemical Name:
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl)amino]pyrimidin-2-one
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Synonyms:
85202-15-9;DTXSID401005673;1-(2-Deoxypentofuranosyl)-4-[(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl)imino]-1,4-dihydropyrimidin-2-ol;Cytidine, 2'-deoxy-N-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)-, (7alpha,8beta,9beta,10alpha)-
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CAS No:
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl)amino]pyrimidin-2-one Basic Attributes
529.5 g/mol
529.18490021 g/mol
Computed Properties
Molecular Weight:529.5
XLogP3:1.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:529.18490021
Monoisotopic Mass:529.18490021
Topological Polar Surface Area:155
Heavy Atom Count:39
Complexity:1020
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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