Ara-C-5'-methylphosphonate
TL;DR: Ara-C-5'-methylphosphonate (CAS 53220-20-5) is a chemical compound with molecular formula C10H16N3O7P and molecular weight 321.0726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methylphosphinic acid
Also Known As: Ara-C-5'-methylphosphonate, Cytarabine 5'-methylphosphonate, 1-{5-O-[Hydroxy(methyl)phosphoryl]pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol, 4-amino-1-{5-o-[hydroxy(methyl)phosphoryl]-d-arabinofuranosyl}pyrimidin-2(1h)-one, [(2R,3S,4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methylphosphinic acid
Technical Specifications
| Molecular Formula | C10H16N3O7P |
| Molecular Weight | 321.0726 g/mol |
| XLogP | -2.9 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.0726 Da |
| Heavy Atoms | 21 |
| Complexity | 537.0 |
| SMILES | CP(=O)(O)OC[C@@H]1[C@H]([C@@H](C(O1)N2C=CC(=NC2=O)N)O)O |
| InChIKey | KFEGUSLPBRFZRQ-HJVNBAFISA-N |
Chemical Property Profile of Ara-C-5'-methylphosphonate
Property Insights of Ara-C-5'-methylphosphonate
The XLogP value of -2.9 indicates that Ara-C-5'-methylphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Ara-C-5'-methylphosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ara-C-5'-methylphosphonate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ara-C-5'-methylphosphonate?
The CAS number of Ara-C-5'-methylphosphonate is 53220-20-5.
What is the molecular formula of Ara-C-5'-methylphosphonate?
The molecular formula of Ara-C-5'-methylphosphonate is C10H16N3O7P.
What is the molecular weight of Ara-C-5'-methylphosphonate?
The molecular weight of Ara-C-5'-methylphosphonate is 321.0726 g/mol.
Where can I buy Ara-C-5'-methylphosphonate?
You can request a quote for Ara-C-5'-methylphosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ara-C-5'-methylphosphonate?
Yes, CoreyChem provides custom synthesis services for Ara-C-5'-methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.