L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride
TL;DR: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride (CAS 81786-30-3) is a chemical compound with molecular formula C8H15ClN2O5 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-(dimethylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride, 1,4:3,6-Dianhydro-2-deoxy-2-(dimethylamino)-L-iditol 5-nitrate monohydrochloride, 5-Dimethylamino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German], 5-Dimethylamino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid, l-iditol,1,4:3,6-dianhydro-2-deoxy-2-,5-nitrate,monohydrochloride
| Molecular Formula | C8H15ClN2O5 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | -0.2871 |
| Topological Polar Surface Area | 74.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.06696 |
| Heavy Atoms | 16 |
| Complexity | 264.81323 |
Chemical Identifiers
| CAS Number | 81786-30-3 |
|---|---|
| SMILES | CN(C)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-].Cl |
Product Overview
L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride (CAS 81786-30-3), with molecular formula C8H15ClN2O5 and molecular weight 254.07 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-(dimethylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride
Property Insights of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride
The XLogP value of -0.2871 indicates that L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.07 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride. Following Lipinski's Rule of Five, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride has 0 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 L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride?
The CAS number of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride is 81786-30-3.
What is the molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride?
The molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride is C8H15ClN2O5.
What is the molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride?
The molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride is 254.07 g/mol.
Where can I buy L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride?
You can request a quote for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.