Pradimicin hydroxy der.
TL;DR: Pradimicin hydroxy der. (CAS 139272-69-8) is a chemical compound with molecular formula C39H41NO20 and molecular weight 843.22217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(5S)-5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid
Also Known As: Pradimicin hydroxy der., 3'-Hydroxybenanomicin A, Bms 181184, 2-[[(5S)-5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid, 2-[[(5S)-5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxy-propanoic acid
Technical Specifications
| Molecular Formula | C39H41NO20 |
| Molecular Weight | 843.22217 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 349.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 843.22217 Da |
| Heavy Atoms | 60 |
| Complexity | 1600.0 |
| SMILES | CC1C(C(C(C(O1)O[C@@H]2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(CO)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)O)O)O)O |
| InChIKey | AXPBRQZJFXIYTD-PWEAUJHISA-N |
Chemical Property Profile of Pradimicin hydroxy der.
Property Insights of Pradimicin hydroxy der.
The XLogP value of -0.9 indicates that Pradimicin hydroxy der. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 349.0 Ų indicates high polarity, suggesting Pradimicin hydroxy der. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicin hydroxy der. has 12 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pradimicin hydroxy der.?
The CAS number of Pradimicin hydroxy der. is 139272-69-8.
What is the molecular formula of Pradimicin hydroxy der.?
The molecular formula of Pradimicin hydroxy der. is C39H41NO20.
What is the molecular weight of Pradimicin hydroxy der.?
The molecular weight of Pradimicin hydroxy der. is 843.22217 g/mol.
Where can I buy Pradimicin hydroxy der.?
You can request a quote for Pradimicin hydroxy der. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pradimicin hydroxy der.?
Yes, CoreyChem provides custom synthesis services for Pradimicin hydroxy der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.