Thymidylyl-(3'-5')-deoxycytidine
TL;DR: Thymidylyl-(3'-5')-deoxycytidine (CAS 5462-88-4) is a chemical compound with molecular formula C19H26N5O11P and molecular weight 531.14 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)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
Also Known As: dTpdC, TpdC, L-Dinervonoyl lecithin, 5'dTdC3', Epitope ID:191037
| Molecular Formula | C19H26N5O11P |
|---|---|
| Molecular Weight | 531.14 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.13666 |
| Heavy Atoms | 36 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 5462-88-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)O |
| InChIKey | JOORWUINAFDIEP-SWTKMSQOSA-N |
Product Overview
Thymidylyl-(3'-5')-deoxycytidine (CAS 5462-88-4), with molecular formula C19H26N5O11P and molecular weight 531.14 g/mol. IUPAC: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate.
Chemical Property Profile of Thymidylyl-(3'-5')-deoxycytidine
Property Insights of Thymidylyl-(3'-5')-deoxycytidine
The XLogP value of -3.8 indicates that Thymidylyl-(3'-5')-deoxycytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.0 Ų indicates high polarity, suggesting Thymidylyl-(3'-5')-deoxycytidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidylyl-(3'-5')-deoxycytidine has 5 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 Thymidylyl-(3'-5')-deoxycytidine?
The CAS number of Thymidylyl-(3'-5')-deoxycytidine is 5462-88-4.
What is the molecular formula of Thymidylyl-(3'-5')-deoxycytidine?
The molecular formula of Thymidylyl-(3'-5')-deoxycytidine is C19H26N5O11P.
What is the molecular weight of Thymidylyl-(3'-5')-deoxycytidine?
The molecular weight of Thymidylyl-(3'-5')-deoxycytidine is 531.14 g/mol.
Where can I buy Thymidylyl-(3'-5')-deoxycytidine?
You can request a quote for Thymidylyl-(3'-5')-deoxycytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidylyl-(3'-5')-deoxycytidine?
Yes, KEHONG BIO provides custom synthesis services for Thymidylyl-(3'-5')-deoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.