肝素
TL;DR: 肝素 (CAS 9005-49-6) is a chemical compound with molecular formula C26H42N2O37S5 and molecular weight 1134.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
肝素
6-[6-[6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid
Also Known As: heparin, enoxaparin, Clexane, Ardeparin, Lovenox
| Molecular Formula | C26H42N2O37S5 |
|---|---|
| Molecular Weight | 1134.01 g/mol |
| LogP | -10.8 |
| Topological Polar Surface Area | 652.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 38 |
| Rotatable Bonds | 21 |
| Exact Mass | 1134.007 |
| Heavy Atoms | 70 |
| Complexity | 2410.0 |
| Solubility | 1.08e+01 g/L |
Chemical Identifiers
| CAS Number | 9005-49-6 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O |
| InChIKey | HTTJABKRGRZYRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
肝素 (CAS 9005-49-6), with molecular formula C26H42N2O37S5 and molecular weight 1134.01 g/mol. IUPAC: 6-[6-[6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid.
Chemical Property Profile of 肝素
Property Insights of 肝素
The XLogP value of -10.8 indicates that 肝素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 652.0 Ų indicates high polarity, suggesting 肝素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 肝素 has 15 hydrogen bond donor(s) and 38 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 肝素?
The CAS number of 肝素 is 9005-49-6.
What is the molecular formula of 肝素?
The molecular formula of 肝素 is C26H42N2O37S5.
What is the molecular weight of 肝素?
The molecular weight of 肝素 is 1134.01 g/mol.
Where can I buy 肝素?
You can request a quote for 肝素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 肝素?
Yes, KEHONG BIO provides custom synthesis services for 肝素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.