Quartromicin D1
TL;DR: Quartromicin D1 (CAS 140447-99-0) is a chemical compound with molecular formula C65H78O20-4 and molecular weight 1178.51 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-16,42-bis(hydroxymethyl)-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-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 D1, BU-3889V D1, octahydroxy-bis(hydroxymethyl)-nonamethyl-tetraoxo-[?]dicarbaldehyde, 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, 3,4,8,10a,13,14,18,22a,25,26,30,32a,35,36,40,44a-hexadecahydro-45,46,47,48-tetrahydroxy-2,24-bis(hydroxymethyl)-3,10a,13,19,22a,25,32a,35,41,44a-decamethyl-6,8,16,18,28,30,38,40-octaoxo-, 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, 3,4,8,10a,13,14,18,22a,25,26,30,32a,35,36,40,44a-hexadecahydro-45,46,47,48-tetrahydroxy-2,24-bis(hydroxymethyl)-3,10a,13,19,22a,25,32a,35,41,44a-decamethyl-6,8,16,18,28,30,38,40-octaoxo-
| Molecular Formula | C65H78O20-4 |
|---|---|
| Molecular Weight | 1178.51 g/mol |
| LogP | 0.0061 |
| Topological Polar Surface Area | 352.96 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 4 |
| Exact Mass | 1178.5087 |
| Heavy Atoms | 85 |
| Complexity | 3070.6284 |
Chemical Identifiers
| CAS Number | 140447-99-0 |
|---|---|
| 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)[O-])O)C)C=O)C)[O-])O)\C)C=C1CO |
Product Overview
Quartromicin D1 (CAS 140447-99-0), with molecular formula C65H78O20-4 and molecular weight 1178.51 g/mol. IUPAC: (7E,19E,21E,33E,45E,47E)-4,30-diformyl-9,23,35,49-tetrahydroxy-16,42-bis(hydroxymethyl)-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-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 D1
Property Insights of Quartromicin D1
The XLogP value of 0.0061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quartromicin D1. The TPSA of 352.96 Ų indicates high polarity, suggesting Quartromicin D1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quartromicin D1 has 6 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quartromicin D1?
The CAS number of Quartromicin D1 is 140447-99-0.
What is the molecular formula of Quartromicin D1?
The molecular formula of Quartromicin D1 is C65H78O20-4.
What is the molecular weight of Quartromicin D1?
The molecular weight of Quartromicin D1 is 1178.51 g/mol.
Where can I buy Quartromicin D1?
You can request a quote for Quartromicin D1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quartromicin D1?
Yes, KEHONG BIO provides custom synthesis services for Quartromicin D1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.