thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine
TL;DR: thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine (CAS 132247-55-3) is a chemical compound with molecular formula C21H28N6O9 and molecular weight 508.19177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,5S)-3-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl] N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]carbamate
Also Known As: NH2d(Tcmt), Thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine, thymidylylacetamido-(3/'(O)-5/'(C))-5/'-deoxythymidine, [(2R,3R,5S)-3-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl] N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]carbamate, Thymidine, 5'-amino-3'-O-carbonyl-5'-deoxy-3'-O-dephosphinicothymidylyl-(3'-5')-5'-amino-5'-deoxy-
Technical Specifications
| Molecular Formula | C21H28N6O9 |
| Molecular Weight | 508.19177 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.19177 Da |
| Heavy Atoms | 36 |
| Complexity | 1030.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)OC(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)CN |
| InChIKey | CIIPJEGMPGGKAM-GDVJQSGWSA-N |
Chemical Property Profile of thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine
Property Insights of thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine
The XLogP value of -1.6 indicates that thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine?
The CAS number of thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine is 132247-55-3.
What is the molecular formula of thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine?
The molecular formula of thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine is C21H28N6O9.
What is the molecular weight of thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine?
The molecular weight of thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine is 508.19177 g/mol.
Where can I buy thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine?
You can request a quote for thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine?
Yes, CoreyChem provides custom synthesis services for thymidylylacetamido-(3'(O)-5'(C))-5'-deoxythymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.