Pacidamycin 3
TL;DR: Pacidamycin 3 (CAS 121280-49-7) is a chemical compound with molecular formula C39H49N9O13 and molecular weight 851.345 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[[(6S)-2,6-diamino-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-5-oxoheptanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]carbamoyl]amino]-3-(3-hydroxyphenyl)propanoic acid
Also Known As: Pacidamycin 3, 2-[[[(6S)-2,6-diamino-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-5-oxoheptanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]carbamoyl]amino]-3-(3-hydroxyphenyl)propanoic acid, Butanamide, N-(((1-carboxy-2-(3-hydroxyphenyl)ethyl)amino)carbonyl)alanyl-N3-(N-alanyl-3-hydroxyphenylalanyl)-N-((5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene)methyl)-N3-methyl-2,3-diamino-
Technical Specifications
| Molecular Formula | C39H49N9O13 |
| Molecular Weight | 851.345 g/mol |
| XLogP | -4.2 |
| Topological Polar Surface Area (TPSA) | 351.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Exact Mass | 851.345 Da |
| Heavy Atoms | 61 |
| Complexity | 1730.0 |
| SMILES | C[C@@H](C(=O)CC(C(C(=O)N(/C=C/1\CC(C(O1)N2C=CC(=O)NC2=O)O)C(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N)N(C)C(=O)[C@H](CC4=CC(=CC=C4)O)NC(=O)[C@H](C)N)N |
| InChIKey | YSDRMMXKDVSBJZ-VTBPMDGBSA-N |
Chemical Property Profile of Pacidamycin 3
Property Insights of Pacidamycin 3
The XLogP value of -4.2 indicates that Pacidamycin 3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 351.0 Ų indicates high polarity, suggesting Pacidamycin 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pacidamycin 3 has 10 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 Pacidamycin 3?
The CAS number of Pacidamycin 3 is 121280-49-7.
What is the molecular formula of Pacidamycin 3?
The molecular formula of Pacidamycin 3 is C39H49N9O13.
What is the molecular weight of Pacidamycin 3?
The molecular weight of Pacidamycin 3 is 851.345 g/mol.
Where can I buy Pacidamycin 3?
You can request a quote for Pacidamycin 3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pacidamycin 3?
Yes, CoreyChem provides custom synthesis services for Pacidamycin 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.