5'-O-thymidyl 3'-O-thymidylphosphate
TL;DR: 5'-O-thymidyl 3'-O-thymidylphosphate (CAS 84332-64-9) is a chemical compound with molecular formula C20H27N4O12P and molecular weight 548.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate
Also Known As: dTpdT, 5'-O-Thymidyl 3'-O-thymidylphosphate, bis[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate, RefChem:100858
| Molecular Formula | C20H27N4O12P |
|---|---|
| Molecular Weight | 548.14 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.14056 |
| Heavy Atoms | 37 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 84332-64-9 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=[18O])(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O)O |
| InChIKey | IFAYVBVXOVCLSE-XDYOORFHSA-N |
Product Overview
5'-O-thymidyl 3'-O-thymidylphosphate (CAS 84332-64-9), with molecular formula C20H27N4O12P and molecular weight 548.14 g/mol. IUPAC: bis[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate.
Chemical Property Profile of 5'-O-thymidyl 3'-O-thymidylphosphate
Property Insights of 5'-O-thymidyl 3'-O-thymidylphosphate
The XLogP value of -3.1 indicates that 5'-O-thymidyl 3'-O-thymidylphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting 5'-O-thymidyl 3'-O-thymidylphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-O-thymidyl 3'-O-thymidylphosphate 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 5'-O-thymidyl 3'-O-thymidylphosphate?
The CAS number of 5'-O-thymidyl 3'-O-thymidylphosphate is 84332-64-9.
What is the molecular formula of 5'-O-thymidyl 3'-O-thymidylphosphate?
The molecular formula of 5'-O-thymidyl 3'-O-thymidylphosphate is C20H27N4O12P.
What is the molecular weight of 5'-O-thymidyl 3'-O-thymidylphosphate?
The molecular weight of 5'-O-thymidyl 3'-O-thymidylphosphate is 548.14 g/mol.
Where can I buy 5'-O-thymidyl 3'-O-thymidylphosphate?
You can request a quote for 5'-O-thymidyl 3'-O-thymidylphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-O-thymidyl 3'-O-thymidylphosphate?
Yes, KEHONG BIO provides custom synthesis services for 5'-O-thymidyl 3'-O-thymidylphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.