LW 10086
TL;DR: LW 10086 (CAS 123072-47-9) is a chemical compound with molecular formula C33H46N2Na16O70S16 and molecular weight 2469.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecasodium;[(1S,2R,3R)-1-[(1R)-2-oxo-1-sulfonatooxy-2-[9-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyhexanoyl]amino]nonylamino]ethyl]-3,4-disulfonatooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxybutyl] sulfate
Also Known As: LW 10086, hexadecasodium [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-6-oxo-1,2,4,5-tetrasulfonatooxy-6-[9-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyhexanoyl]amino]nonylamino]hexan-3-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate, Hexadecasodium [(nonane-1,9-diyl)bis(azanediyl)-(2R,3R,4S,5R)-6-oxo-3-({(2S,3R,4S,5S,6R)-3,4,5-tris(sulfonatooxy)-6-[(sulfonatooxy)methyl]oxan-2-yl}oxy)hexane-6,1,2,4,5-pentayl] octasulfate
| Molecular Formula | C33H46N2Na16O70S16 |
|---|---|
| Molecular Weight | 2469.40 g/mol |
| LogP | -65.7143 |
| Topological Polar Surface Area | 1158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 70 |
| Rotatable Bonds | 58 |
| Exact Mass | 2469.3997 |
| Heavy Atoms | 137 |
| Complexity | 5221.01 |
Chemical Identifiers
| CAS Number | 123072-47-9 |
|---|---|
| SMILES | C(CCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])CCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
Product Overview
LW 10086 (CAS 123072-47-9), with molecular formula C33H46N2Na16O70S16 and molecular weight 2469.40 g/mol. IUPAC: hexadecasodium;[(1S,2R,3R)-1-[(1R)-2-oxo-1-sulfonatooxy-2-[9-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyhexanoyl]amino]nonylamino]ethyl]-3,4-disulfonatooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxybutyl] sulfate.
Chemical Property Profile of LW 10086
Property Insights of LW 10086
The XLogP value of -65.7143 indicates that LW 10086 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 1158.0 Ų indicates high polarity, suggesting LW 10086 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LW 10086 has 2 hydrogen bond donor(s) and 70 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LW 10086?
The CAS number of LW 10086 is 123072-47-9.
What is the molecular formula of LW 10086?
The molecular formula of LW 10086 is C33H46N2Na16O70S16.
What is the molecular weight of LW 10086?
The molecular weight of LW 10086 is 2469.40 g/mol.
Where can I buy LW 10086?
You can request a quote for LW 10086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LW 10086?
Yes, KEHONG BIO provides custom synthesis services for LW 10086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.