Pentopyranine A
4-amino-1-[(2R,5R)-5-hydroxyoxan-2-yl]pyrimidin-2-one
Also Known As: Pentopyranine A|1-(2,3-Dideoxy-alpha-L-glycero-pentopyranosyl)cytosine|4-amino-1-[(2R,5R)-5-hydroxyoxan-2-yl]pyrimidin-2-one|4-amino-1-[(2r,5r)-5-hydroxytetrahydro-2h-pyran-2-yl]pyrimidin-2(1h)-one|1-(5-Hydroxyoxan-2-yl)-4-imino-1,4-dihydropyrimidin-2-ol|4-Amino-1-((2R,5R)-5-hydroxytetrahydro-2H-pyran-2-yl)pyrimidin-2(1H)-one|2(1H)-Pyrimidinone, 4-amino-1-(tetrahydro-5-hydroxy-2H-pyran-2-yl)-, (2R-cis)-|4-amino-1-(5-hydroxy-tetrahydro-pyran-2-yl)-1H-pyrimidin-2-one|1-[(2R,5R)-5-Hydroxyoxan-2-yl]-4-imino-1,4-dihydropyrimidin-2-ol|4-Amino-1-((2R,5R)-5-hydroxy-tetrahydro-pyran-2-yl)-1H-pyrimidin-2-one|4-amino-1-[(2R,5R)-5-hydroxyoxan-2-yl]-1,2-dihydropyrimidin-2-one|4-Amino-1-[(2R)-tetrahydro-5|A-hydroxy-2H-pyran-2-yl]pyrimidin-2(1H)-one|4-Amino-1-[(2R)-tetrahydro-5beta-hydroxy-2H-pyran-2-yl]pyrimidin-2(1H)-one
| Molecular Formula | C9H13N3O3 |
|---|---|
| Molecular Weight | 211.09569 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.09569 |
| Monoisotopic Mass | 211.09569 |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 51130-02-0 |
|---|---|
| SMILES | C1C[C@@H](OC[C@@H]1O)N2C=CC(=NC2=O)N |
| InChIKey | RQQDLJNLFGVCKQ-HTRCEHHLSA-N |
Product Overview
Pentopyranine A (CAS 51130-02-0), with molecular formula C9H13N3O3 and molecular weight 211.09569 g/mol. IUPAC: 4-amino-1-[(2R,5R)-5-hydroxyoxan-2-yl]pyrimidin-2-one.