Pradimicin H
TL;DR: Pradimicin H (CAS 152880-68-7) is a chemical compound with molecular formula C39H42N2O18 and molecular weight 826.2433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[[(5S,6S)-1,6,9,11,14-pentahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Also Known As: Pradimicin H, PRADIMICIN DER, D-Alanine, N-(((5S,6S)-5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,11,14-pentahydroxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (2R)-2-[[(5S,6S)-1,6,9,11,14-pentahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid, (2R)-2-[(5S,6S)-1,6,9,11,14-Pentahydroxy-5-{[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxamido]propanoic acid
Technical Specifications
| Molecular Formula | C39H42N2O18 |
| Molecular Weight | 826.2433 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 332.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 8 |
| Exact Mass | 826.2433 Da |
| Heavy Atoms | 59 |
| Complexity | 1590.0 |
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@H](C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC |
| InChIKey | GBZNIWILHINQHF-NUVDETJMSA-N |
Chemical Property Profile of Pradimicin H
Property Insights of Pradimicin H
The XLogP value of -2.2 indicates that Pradimicin H is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 332.0 Ų indicates high polarity, suggesting Pradimicin H may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicin H has 12 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pradimicin H?
The CAS number of Pradimicin H is 152880-68-7.
What is the molecular formula of Pradimicin H?
The molecular formula of Pradimicin H is C39H42N2O18.
What is the molecular weight of Pradimicin H?
The molecular weight of Pradimicin H is 826.2433 g/mol.
Where can I buy Pradimicin H?
You can request a quote for Pradimicin H directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pradimicin H?
Yes, CoreyChem provides custom synthesis services for Pradimicin H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.