Thymidylyl-(3'-5')deoxyuridine
TL;DR: Thymidylyl-(3'-5')deoxyuridine (CAS 110900-71-5) is a chemical compound with molecular formula C19H25N4O12P and molecular weight 532.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
Also Known As: dTpdU, Thymidylyl-(3'-5')deoxyuridine, thymidylyl-(3/'-5/')deoxyuridine, 2'-Deoxyuridylyl-(5'-3')thymidine, KST-1A0544
| Molecular Formula | C19H25N4O12P |
|---|---|
| Molecular Weight | 532.12 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.12067 |
| Heavy Atoms | 36 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 110900-71-5 |
|---|---|
| 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(=O)NC4=O)O |
| InChIKey | JEFGXHFUMBYQPS-PCKPYIHYSA-N |
Product Overview
Thymidylyl-(3'-5')deoxyuridine (CAS 110900-71-5), with molecular formula C19H25N4O12P and molecular weight 532.12 g/mol. IUPAC: [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate.
Chemical Property Profile of Thymidylyl-(3'-5')deoxyuridine
Property Insights of Thymidylyl-(3'-5')deoxyuridine
The XLogP value of -3.5 indicates that Thymidylyl-(3'-5')deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting Thymidylyl-(3'-5')deoxyuridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidylyl-(3'-5')deoxyuridine has 5 hydrogen bond donor(s) and 12 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')deoxyuridine?
The CAS number of Thymidylyl-(3'-5')deoxyuridine is 110900-71-5.
What is the molecular formula of Thymidylyl-(3'-5')deoxyuridine?
The molecular formula of Thymidylyl-(3'-5')deoxyuridine is C19H25N4O12P.
What is the molecular weight of Thymidylyl-(3'-5')deoxyuridine?
The molecular weight of Thymidylyl-(3'-5')deoxyuridine is 532.12 g/mol.
Where can I buy Thymidylyl-(3'-5')deoxyuridine?
You can request a quote for Thymidylyl-(3'-5')deoxyuridine 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')deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for Thymidylyl-(3'-5')deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.