2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)
TL;DR: 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1) (CAS 81844-65-7) is a chemical compound with molecular formula C6H11ClN2O5 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 5-Amino-5-desoxy-1,4:3,6-dianhydro-D-glucit-2-nitrat-hydrochlorid [German], D-Glucitol, 2-amino-1,4:3,6-dianhydro-2-deoxy-5-nitrate, monohydrochloride, 5-Amino-5-desoxy-1,4:3,6-dianhydro-D-glucit-2-nitrat-hydrochlorid, 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1), 2-Amino-1,4:3,6-dianhydro-2-deoxy-L-iditol 5-nitrate monohydrochloride
| Molecular Formula | C6H11ClN2O5 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | -0.89 |
| Topological Polar Surface Area | 96.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.03564 |
| Heavy Atoms | 14 |
| Complexity | 228.26741 |
Chemical Identifiers
| CAS Number | 81844-65-7 |
|---|---|
| SMILES | C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])N.Cl |
Product Overview
2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1) (CAS 81844-65-7), with molecular formula C6H11ClN2O5 and molecular weight 226.04 g/mol. IUPAC: [(3S,3aR,6R,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)
Property Insights of 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)
The XLogP value of -0.89 indicates that 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)?
The CAS number of 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1) is 81844-65-7.
What is the molecular formula of 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)?
The molecular formula of 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1) is C6H11ClN2O5.
What is the molecular weight of 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)?
The molecular weight of 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1) is 226.04 g/mol.
Where can I buy 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)?
You can request a quote for 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1,4:3,6-dianhydro-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.