Oxyplicacetin
TL;DR: Oxyplicacetin (CAS 100108-92-7) is a chemical compound with molecular formula C25H35N5O8 and molecular weight 533.24854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-N-[1-[(2R,4R,5S,6R)-5-[(1S,2R,3S,4R,5S)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Also Known As: Oxyplicacetin, 4-amino-N-[1-[(2R,4R,5S,6R)-5-[(1S,2R,3S,4R,5S)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide, 4-[(4-Aminobenzoyl)imino]-1-{2,6-dideoxy-4-O-[(1S,2R,3S,4R,5S)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]-beta-D-arabino-hexopyranosyl}-1,4-dihydropyrimidin-2-ol, 4-[(4-Aminobenzoyl)imino]-1-{2,6-dideoxy-4-O-[4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]hexopyranosyl}-1,4-dihydropyrimidin-2-ol, 4-amino-N-(1-((2R,4R,5S,6R)-5-((1S,2R,3S,4R,5S)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl)oxy-4-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl)benzamide
Technical Specifications
| Molecular Formula | C25H35N5O8 |
| Molecular Weight | 533.24854 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.24854 Da |
| Heavy Atoms | 38 |
| Complexity | 923.0 |
| SMILES | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=C(C=C3)N)O)O[C@H]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)N(C)C)O |
| InChIKey | NJRKCURACRGUML-IIYKVCNPSA-N |
Chemical Property Profile of Oxyplicacetin
Property Insights of Oxyplicacetin
The XLogP value of -1.1 indicates that Oxyplicacetin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting Oxyplicacetin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxyplicacetin has 6 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 Oxyplicacetin?
The CAS number of Oxyplicacetin is 100108-92-7.
What is the molecular formula of Oxyplicacetin?
The molecular formula of Oxyplicacetin is C25H35N5O8.
What is the molecular weight of Oxyplicacetin?
The molecular weight of Oxyplicacetin is 533.24854 g/mol.
Where can I buy Oxyplicacetin?
You can request a quote for Oxyplicacetin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Oxyplicacetin?
Yes, CoreyChem provides custom synthesis services for Oxyplicacetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.