L-Aspartyl pradimicin A
TL;DR: L-Aspartyl pradimicin A (CAS 148676-93-1) is a chemical compound with molecular formula C44H49N3O21 and molecular weight 955.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoylamino]butanedioic acid
Also Known As: L-Aspartyl pradimicin A, L-Aspartylpradimicin A, L-Aspartic acid, N-(N-((5-((4,6-dideoxy-4-(methylamino)-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)-D-alanyl)-, (5S-trans)-, 2-[2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoylamino]butanedioic acid
| Molecular Formula | C44H49N3O21 |
|---|---|
| Molecular Weight | 955.29 g/mol |
| LogP | -1.65218 |
| Topological Polar Surface Area | 386.96 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Exact Mass | 955.2858 |
| Heavy Atoms | 68 |
| Complexity | 2584.9277 |
Chemical Identifiers
| CAS Number | 148676-93-1 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)NC(CC(=O)O)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)NC |
Product Overview
L-Aspartyl pradimicin A (CAS 148676-93-1), with molecular formula C44H49N3O21 and molecular weight 955.29 g/mol. IUPAC: 2-[2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoylamino]butanedioic acid.
Chemical Property Profile of L-Aspartyl pradimicin A
Property Insights of L-Aspartyl pradimicin A
The XLogP value of -1.65218 indicates that L-Aspartyl pradimicin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.96 Ų indicates high polarity, suggesting L-Aspartyl pradimicin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Aspartyl pradimicin A has 13 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-Aspartyl pradimicin A?
The CAS number of L-Aspartyl pradimicin A is 148676-93-1.
What is the molecular formula of L-Aspartyl pradimicin A?
The molecular formula of L-Aspartyl pradimicin A is C44H49N3O21.
What is the molecular weight of L-Aspartyl pradimicin A?
The molecular weight of L-Aspartyl pradimicin A is 955.29 g/mol.
Where can I buy L-Aspartyl pradimicin A?
You can request a quote for L-Aspartyl pradimicin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Aspartyl pradimicin A?
Yes, KEHONG BIO provides custom synthesis services for L-Aspartyl pradimicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.