-9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate
TL;DR: -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate (CAS 58880-22-1) is a chemical compound with molecular formula C39H61NO16 and molecular weight 799.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] acetate
Also Known As: -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate
| Molecular Formula | C39H61NO16 |
|---|---|
| Molecular Weight | 799.40 g/mol |
| LogP | 1.4066 |
| Topological Polar Surface Area | 215.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 799.39905 |
| Heavy Atoms | 56 |
| Complexity | 1404.5002 |
Chemical Identifiers
| CAS Number | 58880-22-1 |
|---|---|
| SMILES | CC1CC(C(C(C(CC(=O)OC(CC2C(O2)C=CC1=O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)C)(C)O)N(C)C)O)CC=O |
Product Overview
-9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate (CAS 58880-22-1), with molecular formula C39H61NO16 and molecular weight 799.40 g/mol. IUPAC: [9-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] acetate.
Chemical Property Profile of -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate
Property Insights of -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate
The XLogP value of 1.4066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate. The TPSA of 215.42 Ų indicates high polarity, suggesting -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate has 2 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 -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate?
The CAS number of -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate is 58880-22-1.
What is the molecular formula of -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate?
The molecular formula of -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate is C39H61NO16.
What is the molecular weight of -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate?
The molecular weight of -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate is 799.40 g/mol.
Where can I buy -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate?
You can request a quote for -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate?
Yes, KEHONG BIO provides custom synthesis services for -9-Deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycinV=3,4''-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.