3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate
TL;DR: 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate (CAS 104960-26-1) is a chemical compound with molecular formula C23H24N3O16P3 and molecular weight 691.0369 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate
Also Known As: 3'-O-(4-Benzoyl)benzoyl CTP, 3'-O-(4-Benzoyl)benzoylcytidine 5'-triphosphate, [(2R,3S,4R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate, (3S,5R,10S,13R,14R,17R)-17-[(R)-3-(3,3-Dimethyl-aziridin-2-yl)-1-methyl-propyl]-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, 4-Amino-1-[3-O-(4-benzoylbenzoyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-alpha-D-ribofuranosyl]pyrimidin-2(1H)-one
Technical Specifications
| Molecular Formula | C23H24N3O16P3 |
| Molecular Weight | 691.0369 g/mol |
| XLogP | -2.9 |
| Topological Polar Surface Area (TPSA) | 291.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 691.0369 Da |
| Heavy Atoms | 45 |
| Complexity | 1340.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@@H]([C@@H]3O)N4C=CC(=NC4=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O |
| InChIKey | PEJABEOPPRBHPT-OTNPHJDUSA-N |
Chemical Property Profile of 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate
Property Insights of 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate
The XLogP value of -2.9 indicates that 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 291.0 Ų indicates high polarity, suggesting 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate?
The CAS number of 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate is 104960-26-1.
What is the molecular formula of 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate?
The molecular formula of 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate is C23H24N3O16P3.
What is the molecular weight of 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate?
The molecular weight of 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate is 691.0369 g/mol.
Where can I buy 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate?
You can request a quote for 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate?
Yes, CoreyChem provides custom synthesis services for 3'-O-(4-benzoyl)benzoylcytidine 5'-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.