L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride
TL;DR: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride (CAS 134213-49-3) is a chemical compound with molecular formula C16H21ClN4O7 and molecular weight 416.10986 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,3aR,6S,6aS)-3-[1-oxido-4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]-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-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride, [(3S,3aR,6S,6aS)-3-[1-oxido-4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate hydrochloride, 1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-[1-oxo-4-(pyridine-3-carbonyl)-1lambda~5~-piperazin-1-yl]-L-iditol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C16H21ClN4O7 |
| Molecular Weight | 416.10986 g/mol |
| XLogP | 0.0169 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.10986 Da |
| Heavy Atoms | 28 |
| Complexity | 578.0 |
| SMILES | C1C[N+](CCN1C(=O)C2=CN=CC=C2)([C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-])[O-].Cl |
| InChIKey | LPZIBWWUPRGBRV-FFIJQSHZSA-N |
Chemical Property Profile of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride
Property Insights of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride
The XLogP value of 0.0169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride. Following Lipinski's Rule of Five, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride?
The CAS number of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride is 134213-49-3.
What is the molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride?
The molecular formula of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride is C16H21ClN4O7.
What is the molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride?
The molecular weight of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride is 416.10986 g/mol.
Where can I buy L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride?
You can request a quote for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride?
Yes, CoreyChem provides custom synthesis services for L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-pyridinylcarbonyl)-1-piperazinyl)-, 5-nitrate, N-oxide, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.