Pradimicin acyl der.
TL;DR: Pradimicin acyl der. (CAS 145240-35-3) is a chemical compound with molecular formula C42H46N2O19 and molecular weight 882.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(5S,6S)-5-[5-[acetyl(methyl)amino]-3-hydroxy-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]propanoic acid
Also Known As: Pradimicin acyl der., D-Alanine, N-((5-((4-(acetylmethylamino)-4,6-dideoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-, 2-[[(5S,6S)-5-[5-[acetyl(methyl)amino]-3-hydroxy-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]propanoic acid, 2-[[(5S,6S)-5-[5-[acetyl(methyl)amino]-3-hydroxy-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]propanoic acid, D-Alanine, N-[[5-[[4-(acetylmethylamino)-4,6-dideoxy-3-O-.beta.-D-xylopyranosyl-.beta.-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-, (5S-trans)-
| Molecular Formula | C42H46N2O19 |
|---|---|
| Molecular Weight | 882.27 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 329.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 882.2695 |
| Heavy Atoms | 63 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 145240-35-3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)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)N(C)C(=O)C |
| InChIKey | GNFUDEPFJQDQQG-PGSIOSFHSA-N |
Product Overview
Pradimicin acyl der. (CAS 145240-35-3), with molecular formula C42H46N2O19 and molecular weight 882.27 g/mol. IUPAC: 2-[[(5S,6S)-5-[5-[acetyl(methyl)amino]-3-hydroxy-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]propanoic acid.
Chemical Property Profile of Pradimicin acyl der.
Property Insights of Pradimicin acyl der.
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pradimicin acyl der.. The TPSA of 329.0 Ų indicates high polarity, suggesting Pradimicin acyl der. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicin acyl der. has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pradimicin acyl der.?
The CAS number of Pradimicin acyl der. is 145240-35-3.
What is the molecular formula of Pradimicin acyl der.?
The molecular formula of Pradimicin acyl der. is C42H46N2O19.
What is the molecular weight of Pradimicin acyl der.?
The molecular weight of Pradimicin acyl der. is 882.27 g/mol.
Where can I buy Pradimicin acyl der.?
You can request a quote for Pradimicin acyl der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pradimicin acyl der.?
Yes, KEHONG BIO provides custom synthesis services for Pradimicin acyl der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.