Dutomycin
TL;DR: Dutomycin (CAS 146663-67-4) is a chemical compound with molecular formula C44H54O17 and molecular weight 854.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4R,6S)-6-[(2R,3S,6S)-6-[[(1S,4aS,12aR)-3-acetyl-4,4a,6,12a-tetrahydroxy-9-methoxy-11-methyl-2,5,7,10-tetraoxo-1,12-dihydrotetracen-1-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] (Z,4R)-2,4-dimethylhept-2-enoate
Also Known As: Dutomycin, EX-A14851, HY-N14738, [(2S,3R,4R,6S)-6-[(2R,3S,6S)-6-[[(1S,4aS,12aR)-3-acetyl-4,4a,6,12a-tetrahydroxy-9-methoxy-11-methyl-2,5,7,10-tetraoxo-1,12-dihydrotetracen-1-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] (Z,4R)-2,4-dimethylhept-2-enoate, 1,4,6,7(6aH,10H)-Naphthacenetetrone, 8-acetyl-10-((5-((2,6-dideoxy-4-O-(2,4-dimethyl-1-oxo-2-heptenyl)-3-C-methyl-alpha-L-xylo-hexopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)oxy)-10a,11-dihydro-5,6a,9,10a-tetrahydroxy-2-methoxy-12-methyl-, (2S-(2alpha(6aR*,10S*,10aS*),5beta(2Z,4S*),6alpha))-
| Molecular Formula | C44H54O17 |
|---|---|
| Molecular Weight | 854.34 g/mol |
| LogP | 3.27032 |
| Topological Polar Surface Area | 258.95 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 854.3361 |
| Heavy Atoms | 61 |
| Complexity | 2162.5918 |
Chemical Identifiers
| CAS Number | 146663-67-4 |
|---|---|
| SMILES | CCC[C@@H](C)/C=C(/C)\C(=O)O[C@@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@H]2CC[C@@H](O[C@@H]2C)O[C@@H]3C(=O)C(=C([C@@]4([C@]3(CC5=C(C6=C(C(=O)C=C(C6=O)OC)C(=C5C4=O)O)C)O)O)O)C(=O)C)C |
Product Overview
Dutomycin (CAS 146663-67-4), with molecular formula C44H54O17 and molecular weight 854.34 g/mol. IUPAC: [(2S,3R,4R,6S)-6-[(2R,3S,6S)-6-[[(1S,4aS,12aR)-3-acetyl-4,4a,6,12a-tetrahydroxy-9-methoxy-11-methyl-2,5,7,10-tetraoxo-1,12-dihydrotetracen-1-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] (Z,4R)-2,4-dimethylhept-2-enoate.
Chemical Property Profile of Dutomycin
Property Insights of Dutomycin
The XLogP value of 3.27032 indicates that Dutomycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 258.95 Ų indicates high polarity, suggesting Dutomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dutomycin has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dutomycin?
The CAS number of Dutomycin is 146663-67-4.
What is the molecular formula of Dutomycin?
The molecular formula of Dutomycin is C44H54O17.
What is the molecular weight of Dutomycin?
The molecular weight of Dutomycin is 854.34 g/mol.
Where can I buy Dutomycin?
You can request a quote for Dutomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dutomycin?
Yes, KEHONG BIO provides custom synthesis services for Dutomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.