IC 831423
TL;DR: IC 831423 (CAS 88096-19-9) is a chemical compound with molecular formula C30H51N3O49S8 and molecular weight 1492.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6S)-6-carboxy-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(1R,2S,3R,4R)-1,3-dihydroxy-5-oxo-4-(sulfoamino)-1-sulfooxypentan-2-yl]oxy-4-hydroxy-5-(sulfooxymethyl)oxane-2-carboxylic acid
Also Known As: Heparin pentasaccharide, IC 831423, IC-83.1423, (2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6S)-6-carboxy-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(1R,2S,3R,4R)-1,3-dihydroxy-5-oxo-4-(sulfoamino)-1-sulfooxypentan-2-yl]oxy-4-hydroxy-5-(sulfooxymethyl)oxane-2-carboxylic acid, D-Glucose, O-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranuronosyl-(1-4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-2-O-sulfo-alpha-L-idopyranuronosyl-(1-4)
| Molecular Formula | C30H51N3O49S8 |
|---|---|
| Molecular Weight | 1492.94 g/mol |
| LogP | -15.3 |
| Topological Polar Surface Area | 891.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 52 |
| Rotatable Bonds | 33 |
| Exact Mass | 1492.9357 |
| Heavy Atoms | 90 |
| Complexity | 3410.0 |
Chemical Identifiers
| CAS Number | 88096-19-9 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O[C@@H]([C@@H]([C@H](C=O)NS(=O)(=O)O)O)[C@H](O)OS(=O)(=O)O)C(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)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 |
| InChIKey | XMJBLVNFVOFYMX-QXEJRSLWSA-N |
Product Overview
IC 831423 (CAS 88096-19-9), with molecular formula C30H51N3O49S8 and molecular weight 1492.94 g/mol. IUPAC: (2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6S)-6-carboxy-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(1R,2S,3R,4R)-1,3-dihydroxy-5-oxo-4-(sulfoamino)-1-sulfooxypentan-2-yl]oxy-4-hydroxy-5-(sulfooxymethyl)oxane-2-carboxylic acid.
Chemical Property Profile of IC 831423
Property Insights of IC 831423
The XLogP value of -15.3 indicates that IC 831423 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 891.0 Ų indicates high polarity, suggesting IC 831423 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, IC 831423 has 20 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 IC 831423?
The CAS number of IC 831423 is 88096-19-9.
What is the molecular formula of IC 831423?
The molecular formula of IC 831423 is C30H51N3O49S8.
What is the molecular weight of IC 831423?
The molecular weight of IC 831423 is 1492.94 g/mol.
Where can I buy IC 831423?
You can request a quote for IC 831423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IC 831423?
Yes, KEHONG BIO provides custom synthesis services for IC 831423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.