3'-O-phosphonatocytidine
TL;DR: 3'-O-phosphonatocytidine (CAS 47136-83-4) is a chemical compound with molecular formula C9H12N3O8P-2 and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate
Also Known As: 3'-Cytidylic acid, 3'-cytidylate, 3'-O-phosphonatocytidine, Cytidine 3'-phosphate, Cytidine 3'-monophosphate
| Molecular Formula | C9H12N3O8P-2 |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | -3.71 |
| Topological Polar Surface Area | 183.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.0362 |
| Heavy Atoms | 21 |
| Complexity | 615.2555 |
Chemical Identifiers
| CAS Number | 47136-83-4 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])O |
Product Overview
3'-O-phosphonatocytidine (CAS 47136-83-4), with molecular formula C9H12N3O8P-2 and molecular weight 321.04 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate.
Chemical Property Profile of 3'-O-phosphonatocytidine
Property Insights of 3'-O-phosphonatocytidine
The XLogP value of -3.71 indicates that 3'-O-phosphonatocytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.02 Ų indicates high polarity, suggesting 3'-O-phosphonatocytidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-O-phosphonatocytidine has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-O-phosphonatocytidine?
The CAS number of 3'-O-phosphonatocytidine is 47136-83-4.
What is the molecular formula of 3'-O-phosphonatocytidine?
The molecular formula of 3'-O-phosphonatocytidine is C9H12N3O8P-2.
What is the molecular weight of 3'-O-phosphonatocytidine?
The molecular weight of 3'-O-phosphonatocytidine is 321.04 g/mol.
Where can I buy 3'-O-phosphonatocytidine?
You can request a quote for 3'-O-phosphonatocytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O-phosphonatocytidine?
Yes, KEHONG BIO provides custom synthesis services for 3'-O-phosphonatocytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.