Validamycin E
TL;DR: Validamycin E (CAS 12650-71-4) is a chemical compound with molecular formula C26H45NO18 and molecular weight 659.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[2,3-dihydroxy-6-(hydroxymethyl)-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Validamycin E, Validamycin C, 2-[6-[2,3-dihydroxy-6-(hydroxymethyl)-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, D-chiro-Inositol, O-alpha-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-1,5,6-trideoxy-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-, 4-O-[4-O-(alpha-D-Glucopyranosyl)-beta-D-glucopyranosyl]-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydro
| Molecular Formula | C26H45NO18 |
|---|---|
| Molecular Weight | 659.26 g/mol |
| LogP | -8.4 |
| Topological Polar Surface Area | 332.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 659.2637 |
| Heavy Atoms | 45 |
| Complexity | 978.0 |
Chemical Identifiers
| CAS Number | 12650-71-4 |
|---|---|
| SMILES | C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)CO |
| InChIKey | MSZAIRLAOKNKFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Validamycin E (CAS 12650-71-4), with molecular formula C26H45NO18 and molecular weight 659.26 g/mol. IUPAC: 2-[6-[2,3-dihydroxy-6-(hydroxymethyl)-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Validamycin E
Property Insights of Validamycin E
The XLogP value of -8.4 indicates that Validamycin E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 332.0 Ų indicates high polarity, suggesting Validamycin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Validamycin E has 15 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Validamycin E?
The CAS number of Validamycin E is 12650-71-4.
What is the molecular formula of Validamycin E?
The molecular formula of Validamycin E is C26H45NO18.
What is the molecular weight of Validamycin E?
The molecular weight of Validamycin E is 659.26 g/mol.
Where can I buy Validamycin E?
You can request a quote for Validamycin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Validamycin E?
Yes, KEHONG BIO provides custom synthesis services for Validamycin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.