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 information
- CAS
85202-15-9- Standard SMILES
O=c1nc(NC2c3c(cc4ccc5cccc6ccc3c4c56)C(O)C(O)C2O)ccn1C1CC(O)C(CO)O1- InChIKey
QEXZUJGNNYADKZ-UHFFFAOYSA-N- Molecular formula
- C29H27N3O7
- Average molar mass
- 529.5 g/mol
- Monoisotopic mass
- 529.18490021
Names & identifiers
- Preferred 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
- 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
Names & synonyms
85202-15-9DTXSID4010056731-(2-Deoxypentofuranosyl)-4-[(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl)imino]-1,4-dihydropyrimidin-2-olCytidine, 2'-deoxy-N-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)-, (7alpha,8beta,9beta,10alpha)-
Database identifiers
- CAS
85202-15-9- PubChem CID
- 187441
- DTXSID
DTXSID401005673
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…