甘露醇六硝酸酯
TL;DR: 甘露醇六硝酸酯 (CAS 15825-70-4) is a chemical compound with molecular formula C6H8N6O18 and molecular weight 451.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甘露醇六硝酸酯
[(2R,3R,4R,5R)-1,2,4,5,6-pentanitrooxyhexan-3-yl] nitrate
Also Known As: MANNITOL HEXANITRATE, Nitromannite, Nitranitol, mannitol nitrate, maltrate
| Molecular Formula | C6H8N6O18 |
|---|---|
| Molecular Weight | 451.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 330.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 451.9895 |
| Heavy Atoms | 30 |
| Complexity | 578.0 |
| Melting Point | 107 °C |
| Boiling Point | Explodes |
| Density | 1.8 g/cu cm at 20 °C |
| Solubility | Soluble in alcohol, acetone, ether |
Chemical Identifiers
| CAS Number | 15825-70-4 |
|---|---|
| SMILES | C([C@H]([C@H]([C@@H]([C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | DGMJZELBSFOPHH-KVTDHHQDSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甘露醇六硝酸酯 (CAS 15825-70-4), with molecular formula C6H8N6O18 and molecular weight 451.99 g/mol. IUPAC: [(2R,3R,4R,5R)-1,2,4,5,6-pentanitrooxyhexan-3-yl] nitrate.
Chemical Property Profile of 甘露醇六硝酸酯
Property Insights of 甘露醇六硝酸酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甘露醇六硝酸酯. The TPSA of 330.0 Ų indicates high polarity, suggesting 甘露醇六硝酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 甘露醇六硝酸酯 has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 甘露醇六硝酸酯?
The CAS number of 甘露醇六硝酸酯 is 15825-70-4.
What is the molecular formula of 甘露醇六硝酸酯?
The molecular formula of 甘露醇六硝酸酯 is C6H8N6O18.
What is the molecular weight of 甘露醇六硝酸酯?
The molecular weight of 甘露醇六硝酸酯 is 451.99 g/mol.
Where can I buy 甘露醇六硝酸酯?
You can request a quote for 甘露醇六硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甘露醇六硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 甘露醇六硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.