Einecs 259-391-3
TL;DR: Einecs 259-391-3 (CAS 54911-32-9) is a chemical compound with molecular formula C29H57N5O22S and molecular weight 859.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4-hydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;sulfuric acid
Also Known As: Lividomycin A sulfate, KST-1A6088, (1s,2s,3r,4s,6r)-4,6-diamino-3-hydroxy-2-{[, A-d-mannopyranosyl-(1-, (1s,2s,3r,4s,6r)-4,6-diamino-3-hydroxy-2-{[
| Molecular Formula | C29H57N5O22S |
|---|---|
| Molecular Weight | 859.32 g/mol |
| LogP | -10.66 |
| Topological Polar Surface Area | 489.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 12 |
| Exact Mass | 859.3216 |
| Heavy Atoms | 57 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 54911-32-9 |
|---|---|
| SMILES | C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N.OS(=O)(=O)O |
| InChIKey | STOAZZFOPVGXEX-WEEDGXOWSA-N |
Product Overview
Einecs 259-391-3 (CAS 54911-32-9), with molecular formula C29H57N5O22S and molecular weight 859.32 g/mol. IUPAC: (2R,3S,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4-hydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;sulfuric acid.
Chemical Property Profile of Einecs 259-391-3
Property Insights of Einecs 259-391-3
The XLogP value of -10.66 indicates that Einecs 259-391-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 489.0 Ų indicates high polarity, suggesting Einecs 259-391-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 259-391-3 has 17 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 259-391-3?
The CAS number of Einecs 259-391-3 is 54911-32-9.
What is the molecular formula of Einecs 259-391-3?
The molecular formula of Einecs 259-391-3 is C29H57N5O22S.
What is the molecular weight of Einecs 259-391-3?
The molecular weight of Einecs 259-391-3 is 859.32 g/mol.
Where can I buy Einecs 259-391-3?
You can request a quote for Einecs 259-391-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 259-391-3?
Yes, KEHONG BIO provides custom synthesis services for Einecs 259-391-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.