AC1L4KVT structure

AC1L4KVT

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

Also Known As: 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-(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)-

CAS: 85202-15-9
Molecular Formula C29H27N3O7
Molecular Weight 529.1849 g/mol
LogP 1.1
Topological Polar Surface Area 155.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 7
Rotatable Bonds 4
Exact Mass 529.1849
Monoisotopic Mass 529.1849
Heavy Atoms 39
Complexity 1020.0

Chemical Identifiers

CAS Number 85202-15-9
SMILES C1C(C(OC1N2C=CC(=NC2=O)NC3C(C(C(C4=C3C5=C6C(=C4)C=CC7=C6C(=CC=C7)C=C5)O)O)O)CO)O
InChIKey QEXZUJGNNYADKZ-UHFFFAOYSA-N

Product Overview

AC1L4KVT (CAS 85202-15-9), with molecular formula C29H27N3O7 and molecular weight 529.1849 g/mol. IUPAC: 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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