Quartromicin A1
TL;DR: Quartromicin A1 (CAS 136765-19-0) is a chemical compound with molecular formula C77H98O30-4 and molecular weight 1502.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7E,19E,21E,33E,45E,47E)-4,30-diformyl-9,23,35,49-tetrahydroxy-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-16,42-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-12,26,38,52-tetraoxanonacyclo[48.2.1.110,13.124,27.136,39.01,6.013,18.027,32.039,44]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-11,25,37,51-tetrolate
Also Known As: Quartromicin A1, BU-3889V A1, 4a,7:14a,17:26a,29:36a,39-Tetrametheno-6H,16H,28H,38H-tetrabenzo(b,j,t,b1)(1,9,19,27)tetraoxacyclohexatriacontin-12,34-dicarboxaldehyde, 2,24-bis((alpha-D-galactopyranosyloxy)methyl)-3,4,8,10a,13,14,18,22a,25,26,30,32a,35,36,40,44a-hexadecahydro-45,46,47,48-tetrahydroxy-3,10a,13,19,22a,25,32a,35,41,44a-decamethyl-6,8,16,18,28,30,38,40-octaoxo-, (7E,19E,21E,33E,45E,47E)-4,30-diformyl-9,23,35,49-tetrahydroxy-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-16,42-bis(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)-12,26,38,52-tetraoxanonacyclo(48.2.1.110,13.124,27.136,39.01,6.013,18.027,32.039,44)hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-11,25,37,51-tetrolate, (7E,19E,21E,33E,45E,47E)-4,30-diformyl-9,23,35,49-tetrahydroxy-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-16,42-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-12,26,38,52-tetraoxanonacyclo[48.2.1.110,13.124,27.136,39.01,6.013,18.027,32.039,44]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-11,25,37,51-tetrolate
| Molecular Formula | C77H98O30-4 |
|---|---|
| Molecular Weight | 1502.61 g/mol |
| LogP | -4.3455 |
| Topological Polar Surface Area | 511.26 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 10 |
| Exact Mass | 1502.6143 |
| Heavy Atoms | 107 |
| Complexity | 3754.852 |
Chemical Identifiers
| CAS Number | 136765-19-0 |
|---|---|
| SMILES | CC1CC23C(/C=C/C=C(/C(C4C(OC5(C4=O)CC(C(=CC5(/C=C/C(C6C(OC7(C6=O)CC(C(=CC7(/C=C/C=C(/C(C8C(OC9(C8=O)CC(C(=CC9(/C=C/C(C(C2=O)C(O3)[O-])O)C)C=O)C)[O-])O)\C)C)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C)[O-])O)C)C=O)C)[O-])O)\C)C=C1CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O |
Product Overview
Quartromicin A1 (CAS 136765-19-0), with molecular formula C77H98O30-4 and molecular weight 1502.61 g/mol. IUPAC: (7E,19E,21E,33E,45E,47E)-4,30-diformyl-9,23,35,49-tetrahydroxy-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-16,42-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-12,26,38,52-tetraoxanonacyclo[48.2.1.110,13.124,27.136,39.01,6.013,18.027,32.039,44]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-11,25,37,51-tetrolate.
Chemical Property Profile of Quartromicin A1
Property Insights of Quartromicin A1
The XLogP value of -4.3455 indicates that Quartromicin A1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 511.26 Ų indicates high polarity, suggesting Quartromicin A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quartromicin A1 has 12 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quartromicin A1?
The CAS number of Quartromicin A1 is 136765-19-0.
What is the molecular formula of Quartromicin A1?
The molecular formula of Quartromicin A1 is C77H98O30-4.
What is the molecular weight of Quartromicin A1?
The molecular weight of Quartromicin A1 is 1502.61 g/mol.
Where can I buy Quartromicin A1?
You can request a quote for Quartromicin A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quartromicin A1?
Yes, KEHONG BIO provides custom synthesis services for Quartromicin A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.