Quartromicin A3
TL;DR: Quartromicin A3 (CAS 136765-21-4) is a chemical compound with molecular formula C77H102O30-4 and molecular weight 1506.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7E,19E,21E,33E,45E,47E)-9,23,35,49-tetrahydroxy-4,30-bis(hydroxymethyl)-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 A3, BU-3889V A3, (7E,19E,21E,33E,45E,47E)-9,23,35,49-tetrahydroxy-4,30-bis(hydroxymethyl)-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, 4a,7:14a,17:26a,29:36a,39-Tetrametheno-6H,16H,28H,38H-tetrabenzo(b,j,t,b1)(1,9,19,27)tetraoxacyclohexatriacontin-6,8,16,18,28,30,38,40(4H,10aH,22aH,32aH)-octone, 2,24-bis((alpha-D-galactopyranosyloxy)methyl)-3,13,14,25,26,35,36,44a-octahydro-45,46,47,48-tetrahydroxy-12,34-bis(hydroxymethyl)-3,10a,13,19,22a,25,32a,35,41,44a-decamethyl-, 4a,7:14a,17:26a,29:36a,39-Tetrametheno-6H,16H,28H,38H-tetrabenzo[b,j,t,b1][1,9,19,27]tetraoxacyclohexatriacontin-6,8,16,18,28,30,38,40(4H,10aH,22aH,32aH)-octone, 2,24-bis[(.alpha.-D-galactopyranosyloxy)methyl]-3,13,14,25,26,35,36,44a-octahydro-45,46,47,48-tetrahydroxy-12,34-bis(hydroxymethyl)-3,10a,13,19,22a,25,32a,35,41,44a-decamethyl-
| Molecular Formula | C77H102O30-4 |
|---|---|
| Molecular Weight | 1506.65 g/mol |
| LogP | -4.7587 |
| Topological Polar Surface Area | 517.58 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 10 |
| Exact Mass | 1506.6456 |
| Heavy Atoms | 107 |
| Complexity | 3684.2983 |
Chemical Identifiers
| CAS Number | 136765-21-4 |
|---|---|
| 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)CO)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)CO)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 A3 (CAS 136765-21-4), with molecular formula C77H102O30-4 and molecular weight 1506.65 g/mol. IUPAC: (7E,19E,21E,33E,45E,47E)-9,23,35,49-tetrahydroxy-4,30-bis(hydroxymethyl)-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 A3
Property Insights of Quartromicin A3
The XLogP value of -4.7587 indicates that Quartromicin A3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 517.58 Ų indicates high polarity, suggesting Quartromicin A3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quartromicin A3 has 14 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 A3?
The CAS number of Quartromicin A3 is 136765-21-4.
What is the molecular formula of Quartromicin A3?
The molecular formula of Quartromicin A3 is C77H102O30-4.
What is the molecular weight of Quartromicin A3?
The molecular weight of Quartromicin A3 is 1506.65 g/mol.
Where can I buy Quartromicin A3?
You can request a quote for Quartromicin A3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quartromicin A3?
Yes, KEHONG BIO provides custom synthesis services for Quartromicin A3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.