NSC 684880
TL;DR: NSC 684880 (CAS 60120-39-0) is a chemical compound with molecular formula C42H72O39S and molecular weight 1232.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;sulfuric acid
| Molecular Formula | C42H72O39S |
|---|---|
| Molecular Weight | 1232.34 g/mol |
| LogP | -15.8834 |
| Topological Polar Surface Area | 637.0 Ų |
| Hydrogen Bond Donors | 23 |
| Hydrogen Bond Acceptors | 39 |
| Rotatable Bonds | 7 |
| Exact Mass | 1232.3372 |
| Heavy Atoms | 82 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 60120-39-0 |
|---|---|
| SMILES | C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O.OS(=O)(=O)O |
| InChIKey | YVHUUWWOTZQREM-ZQOBQRRWSA-N |
Product Overview
NSC 684880 (CAS 60120-39-0), with molecular formula C42H72O39S and molecular weight 1232.34 g/mol. IUPAC: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;sulfuric acid.
Chemical Property Profile of NSC 684880
Property Insights of NSC 684880
The XLogP value of -15.8834 indicates that NSC 684880 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 637.0 Ų indicates high polarity, suggesting NSC 684880 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NSC 684880 has 23 hydrogen bond donor(s) and 39 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NSC 684880?
The CAS number of NSC 684880 is 60120-39-0.
What is the molecular formula of NSC 684880?
The molecular formula of NSC 684880 is C42H72O39S.
What is the molecular weight of NSC 684880?
The molecular weight of NSC 684880 is 1232.34 g/mol.
Where can I buy NSC 684880?
You can request a quote for NSC 684880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 684880?
Yes, KEHONG BIO provides custom synthesis services for NSC 684880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.