Aprosulate Sodium
TL;DR: Aprosulate Sodium (CAS 123072-45-7) is a chemical compound with molecular formula C27H34N2Na16O70S16 and molecular weight 2385.31 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-[3-[[(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]propylamino]ethyl]-3,4-disulfonatooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxybutyl] sulfate
Also Known As: Aprosulate Sodium, Aprosulate, Aprosulate sodique, Aprosulato sodico, Aprosulatum natricum
| Molecular Formula | C27H34N2Na16O70S16 |
|---|---|
| Molecular Weight | 2385.31 g/mol |
| LogP | -68.05 |
| Topological Polar Surface Area | 1290.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 70 |
| Rotatable Bonds | 36 |
| Exact Mass | 2385.3057 |
| Heavy Atoms | 131 |
| Complexity | 4720.0 |
Chemical Identifiers
| CAS Number | 123072-45-7 |
|---|---|
| SMILES | C(CNC(=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-])CNC(=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 | CXKOATPJKFZCEL-HPXJARCXSA-A |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aprosulate Sodium (CAS 123072-45-7), with molecular formula C27H34N2Na16O70S16 and molecular weight 2385.31 g/mol. IUPAC: hexadecasodium;[(1S,2R,3R)-1-[(1R)-2-oxo-1-sulfonatooxy-2-[3-[[(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]propylamino]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 Aprosulate Sodium
Property Insights of Aprosulate Sodium
The XLogP value of -68.05 indicates that Aprosulate Sodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 1290.0 Ų indicates high polarity, suggesting Aprosulate Sodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aprosulate Sodium 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 Aprosulate Sodium?
The CAS number of Aprosulate Sodium is 123072-45-7.
What is the molecular formula of Aprosulate Sodium?
The molecular formula of Aprosulate Sodium is C27H34N2Na16O70S16.
What is the molecular weight of Aprosulate Sodium?
The molecular weight of Aprosulate Sodium is 2385.31 g/mol.
Where can I buy Aprosulate Sodium?
You can request a quote for Aprosulate Sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aprosulate Sodium?
Yes, KEHONG BIO provides custom synthesis services for Aprosulate Sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.