磺達肝素
TL;DR: 磺達肝素 (CAS 114870-03-0) is a chemical compound with molecular formula C31H43N3Na10O49S8 and molecular weight 1726.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磺達肝素
decasodium;(2S,3S,4R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylate
Also Known As: Arixtra, Xantidar, Fondaparinux sodium, Fondaparinux sodium [USAN], Org 31540
| Molecular Formula | C31H43N3Na10O49S8 |
|---|---|
| Molecular Weight | 1726.77 g/mol |
| LogP | -49.1203 |
| Topological Polar Surface Area | 901.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 52 |
| Rotatable Bonds | 20 |
| Exact Mass | 1726.7708 |
| Heavy Atoms | 101 |
| Complexity | 3330.0 |
Chemical Identifiers
| CAS Number | 114870-03-0 |
|---|---|
| SMILES | CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O[C@@H]3[C@@H]([C@H](C([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | XEKSTYNIJLDDAZ-KUCIAVDMSA-D |
Product Overview
磺達肝素 (CAS 114870-03-0), with molecular formula C31H43N3Na10O49S8 and molecular weight 1726.77 g/mol. IUPAC: decasodium;(2S,3S,4R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylate.
Chemical Property Profile of 磺達肝素
Property Insights of 磺達肝素
The XLogP value of -49.1203 indicates that 磺達肝素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 901.0 Ų indicates high polarity, suggesting 磺達肝素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 磺達肝素 has 9 hydrogen bond donor(s) and 52 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 磺達肝素?
The CAS number of 磺達肝素 is 114870-03-0.
What is the molecular formula of 磺達肝素?
The molecular formula of 磺達肝素 is C31H43N3Na10O49S8.
What is the molecular weight of 磺達肝素?
The molecular weight of 磺達肝素 is 1726.77 g/mol.
Where can I buy 磺達肝素?
You can request a quote for 磺達肝素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磺達肝素?
Yes, KEHONG BIO provides custom synthesis services for 磺達肝素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.