Thymidylyl-(3'-5')-thymidine monophosphate
TL;DR: Thymidylyl-(3'-5')-thymidine monophosphate (CAS 2476-56-4) is a chemical compound with molecular formula C20H28N4O15P2 and molecular weight 626.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: TpTp, thymidylyl-(3'-5')-thymidine monophosphate, J1.615.837B, 5 -O-(3 -Thymidylyl)-3 -thymidylic acid, 1-(4-hydroxyphenyl)-3-(methylamino)propan-1-one,hydrochloride
| Molecular Formula | C20H28N4O15P2 |
|---|---|
| Molecular Weight | 626.10 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 626.10266 |
| Heavy Atoms | 41 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 2476-56-4 |
|---|---|
| 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=C(C(=O)NC4=O)C)OP(=O)(O)O |
| InChIKey | LPGUBBCKPSUVTG-KPRKPIBOSA-N |
Product Overview
Thymidylyl-(3'-5')-thymidine monophosphate (CAS 2476-56-4), with molecular formula C20H28N4O15P2 and molecular weight 626.10 g/mol. IUPAC: [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of Thymidylyl-(3'-5')-thymidine monophosphate
Property Insights of Thymidylyl-(3'-5')-thymidine monophosphate
The XLogP value of -4.2 indicates that Thymidylyl-(3'-5')-thymidine monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.0 Ų indicates high polarity, suggesting Thymidylyl-(3'-5')-thymidine monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidylyl-(3'-5')-thymidine monophosphate has 6 hydrogen bond donor(s) and 15 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 monophosphate?
The CAS number of Thymidylyl-(3'-5')-thymidine monophosphate is 2476-56-4.
What is the molecular formula of Thymidylyl-(3'-5')-thymidine monophosphate?
The molecular formula of Thymidylyl-(3'-5')-thymidine monophosphate is C20H28N4O15P2.
What is the molecular weight of Thymidylyl-(3'-5')-thymidine monophosphate?
The molecular weight of Thymidylyl-(3'-5')-thymidine monophosphate is 626.10 g/mol.
Where can I buy Thymidylyl-(3'-5')-thymidine monophosphate?
You can request a quote for Thymidylyl-(3'-5')-thymidine monophosphate 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 monophosphate?
Yes, KEHONG BIO provides custom synthesis services for Thymidylyl-(3'-5')-thymidine monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.