Clitidine 5'-phosphate
TL;DR: Clitidine 5'-phosphate (CAS 65411-71-4) is a chemical compound with molecular formula C11H15N2O9P and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid
Also Known As: Clitidine 5'-phosphate, clitidine 5'-mononucleotide, 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid, 1,2,4-Benzenetricarboxylic acid,2-[2-(dimethylamino)ethyl] ester, 1,4-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid
| Molecular Formula | C11H15N2O9P |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.0515 |
| Heavy Atoms | 23 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 65411-71-4 |
|---|---|
| SMILES | C1=CN(C=C(C1=N)C(=O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| InChIKey | LLSDPYFONVWVGW-ZYUZMQFOSA-N |
Product Overview
Clitidine 5'-phosphate (CAS 65411-71-4), with molecular formula C11H15N2O9P and molecular weight 350.05 g/mol. IUPAC: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid.
Chemical Property Profile of Clitidine 5'-phosphate
Property Insights of Clitidine 5'-phosphate
The XLogP value of -3.1 indicates that Clitidine 5'-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting Clitidine 5'-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clitidine 5'-phosphate has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clitidine 5'-phosphate?
The CAS number of Clitidine 5'-phosphate is 65411-71-4.
What is the molecular formula of Clitidine 5'-phosphate?
The molecular formula of Clitidine 5'-phosphate is C11H15N2O9P.
What is the molecular weight of Clitidine 5'-phosphate?
The molecular weight of Clitidine 5'-phosphate is 350.05 g/mol.
Where can I buy Clitidine 5'-phosphate?
You can request a quote for Clitidine 5'-phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clitidine 5'-phosphate?
Yes, KEHONG BIO provides custom synthesis services for Clitidine 5'-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.