3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine
TL;DR: 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine (CAS 26467-01-6) is a chemical compound with molecular formula C18H25N6O10P and molecular weight 516.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine, 5 -O-(2 -Deoxy-3 -cytidylyl)-2 -deoxycytidine, 2 -Deoxy-3 -cytidylic acid 2 -deoxy-5 -cytidyl ester, {[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid, 2 -Deoxycytidine 5 -(phosphoric acid 2 -deoxy-3 -cytidyl) ester
| Molecular Formula | C18H25N6O10P |
|---|---|
| Molecular Weight | 516.14 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.13696 |
| Heavy Atoms | 35 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 26467-01-6 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=CC(=NC4=O)N)O |
| InChIKey | IURHMJAVRZRPAH-PHEULEMZSA-N |
Product Overview
3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine (CAS 26467-01-6), with molecular formula C18H25N6O10P and molecular weight 516.14 g/mol. IUPAC: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine
Property Insights of 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine
The XLogP value of -4.5 indicates that 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 232.0 Ų indicates high polarity, suggesting 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine?
The CAS number of 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine is 26467-01-6.
What is the molecular formula of 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine?
The molecular formula of 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine is C18H25N6O10P.
What is the molecular weight of 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine?
The molecular weight of 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine is 516.14 g/mol.
Where can I buy 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine?
You can request a quote for 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine?
Yes, KEHONG BIO provides custom synthesis services for 3 -O-(2 -Deoxy-5 -cytidylyl)-2 -deoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.