Thymidylyl-(3'->5')-thymidine
TL;DR: Thymidylyl-(3'->5')-thymidine (CAS 1969-54-6) is a chemical compound with molecular formula C20H27N4O12P and molecular weight 546.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
Also Known As: dTpdT, DtpT, Normal dTpT, Tpt ammonium salt, Tp5meU
| Molecular Formula | C20H27N4O12P |
|---|---|
| Molecular Weight | 546.14 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 | 546.1363 |
| Heavy Atoms | 37 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 1969-54-6 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C)O |
| InChIKey | FCXGCSBZKOHCLB-KPRKPIBOSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thymidylyl-(3'->5')-thymidine (CAS 1969-54-6), with molecular formula C20H27N4O12P and molecular weight 546.14 g/mol. IUPAC: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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')-thymidine
Property Insights of Thymidylyl-(3'->5')-thymidine
The XLogP value of -3.1 indicates that Thymidylyl-(3'->5')-thymidine 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')-thymidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidylyl-(3'->5')-thymidine 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')-thymidine?
The CAS number of Thymidylyl-(3'->5')-thymidine is 1969-54-6.
What is the molecular formula of Thymidylyl-(3'->5')-thymidine?
The molecular formula of Thymidylyl-(3'->5')-thymidine is C20H27N4O12P.
What is the molecular weight of Thymidylyl-(3'->5')-thymidine?
The molecular weight of Thymidylyl-(3'->5')-thymidine is 546.14 g/mol.
Where can I buy Thymidylyl-(3'->5')-thymidine?
You can request a quote for Thymidylyl-(3'->5')-thymidine 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')-thymidine?
Yes, KEHONG BIO provides custom synthesis services for Thymidylyl-(3'->5')-thymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.