L-Alanyl pradimicin A
TL;DR: L-Alanyl pradimicin A (CAS 133917-47-2) is a chemical compound with molecular formula C43H49N3O19 and molecular weight 911.30 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]propanoic acid
Also Known As: L-Alanyl pradimicin A, D-Alanyl pradimicin A, D-Alanine, 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]propanoic acid, L-Alanine, 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)-
| Molecular Formula | C43H49N3O19 |
|---|---|
| Molecular Weight | 911.30 g/mol |
| LogP | -1.10698 |
| Topological Polar Surface Area | 349.66 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 911.296 |
| Heavy Atoms | 65 |
| Complexity | 2460.831 |
Chemical Identifiers
| CAS Number | 133917-47-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)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)NC |
Product Overview
L-Alanyl pradimicin A (CAS 133917-47-2), with molecular formula C43H49N3O19 and molecular weight 911.30 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]propanoic acid.
Chemical Property Profile of L-Alanyl pradimicin A
Property Insights of L-Alanyl pradimicin A
The XLogP value of -1.10698 indicates that L-Alanyl pradimicin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 349.66 Ų indicates high polarity, suggesting L-Alanyl pradimicin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Alanyl pradimicin A has 12 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 L-Alanyl pradimicin A?
The CAS number of L-Alanyl pradimicin A is 133917-47-2.
What is the molecular formula of L-Alanyl pradimicin A?
The molecular formula of L-Alanyl pradimicin A is C43H49N3O19.
What is the molecular weight of L-Alanyl pradimicin A?
The molecular weight of L-Alanyl pradimicin A is 911.30 g/mol.
Where can I buy L-Alanyl pradimicin A?
You can request a quote for L-Alanyl 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-Alanyl pradimicin A?
Yes, KEHONG BIO provides custom synthesis services for L-Alanyl pradimicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.