Heliquinomycin
TL;DR: Heliquinomycin (CAS 178182-49-5) is a chemical compound with molecular formula C33H30O17 and molecular weight 698.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
Also Known As: Heliquinomycin, NCI60_036616, methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate, Methyl (2R,3R,3'R)-3'-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-3,4',9',10-tetrahydroxy-7'-methoxy-5',8',9-trioxo-4,5',8',9-tetrahydro-3H,3'H-spiro[benzo[1,2-b:5,4-c']dipyran-2,2'-naphtho[2,3-b]furan]-7-carboxylate, methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-7'-methoxy-5',8',9-trioxo-spiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f]benzofuran]-7-carboxylate
| Molecular Formula | C33H30O17 |
|---|---|
| Molecular Weight | 698.15 g/mol |
| LogP | 1.2589 |
| Topological Polar Surface Area | 247.18 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 5 |
| Exact Mass | 698.1483 |
| Heavy Atoms | 50 |
| Complexity | 2080.7434 |
Chemical Identifiers
| CAS Number | 178182-49-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)O[C@@H]2C3=C(C4=C(C(=C3O[C@]25[C@@H](CC6=C(O5)C(=C7C(=C6)C=C(OC7=O)C(=O)OC)O)O)O)C(=O)C(=CC4=O)OC)O)OC)O |
Product Overview
Heliquinomycin (CAS 178182-49-5), with molecular formula C33H30O17 and molecular weight 698.15 g/mol. IUPAC: methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate.
Chemical Property Profile of Heliquinomycin
Property Insights of Heliquinomycin
The XLogP value of 1.2589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heliquinomycin. The TPSA of 247.18 Ų indicates high polarity, suggesting Heliquinomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heliquinomycin 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 Heliquinomycin?
The CAS number of Heliquinomycin is 178182-49-5.
What is the molecular formula of Heliquinomycin?
The molecular formula of Heliquinomycin is C33H30O17.
What is the molecular weight of Heliquinomycin?
The molecular weight of Heliquinomycin is 698.15 g/mol.
Where can I buy Heliquinomycin?
You can request a quote for Heliquinomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heliquinomycin?
Yes, KEHONG BIO provides custom synthesis services for Heliquinomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.