LW 10078
TL;DR: LW 10078 (CAS 123072-46-8) is a chemical compound with molecular formula C30H40N2Na16O70S16 and molecular weight 2427.35 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-[6-[[(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]hexylamino]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 10078, hexadecasodium [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-6-oxo-1,2,4,5-tetrasulfonatooxy-6-[6-[[(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]hexylamino]hexan-3-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate
| Molecular Formula | C30H40N2Na16O70S16 |
|---|---|
| Molecular Weight | 2427.35 g/mol |
| LogP | -66.8846 |
| Topological Polar Surface Area | 1290.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 70 |
| Rotatable Bonds | 39 |
| Exact Mass | 2427.3525 |
| Heavy Atoms | 134 |
| Complexity | 4790.0 |
Chemical Identifiers
| CAS Number | 123072-46-8 |
|---|---|
| SMILES | C(CCCNC(=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-])CCNC(=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+] |
| InChIKey | VNPCPWNSBZLQQD-IRTGJXHZSA-A |
Product Overview
LW 10078 (CAS 123072-46-8), with molecular formula C30H40N2Na16O70S16 and molecular weight 2427.35 g/mol. IUPAC: hexadecasodium;[(1S,2R,3R)-1-[(1R)-2-oxo-1-sulfonatooxy-2-[6-[[(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]hexylamino]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 10078
Property Insights of LW 10078
The XLogP value of -66.8846 indicates that LW 10078 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 1290.0 Ų indicates high polarity, suggesting LW 10078 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LW 10078 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 10078?
The CAS number of LW 10078 is 123072-46-8.
What is the molecular formula of LW 10078?
The molecular formula of LW 10078 is C30H40N2Na16O70S16.
What is the molecular weight of LW 10078?
The molecular weight of LW 10078 is 2427.35 g/mol.
Where can I buy LW 10078?
You can request a quote for LW 10078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LW 10078?
Yes, KEHONG BIO provides custom synthesis services for LW 10078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.