Sucrose octanitrate
TL;DR: Sucrose octanitrate (CAS 30236-29-4) is a chemical compound with molecular formula C12H14N8O27 and molecular weight 702.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dinitrooxy-2,5-bis(nitrooxymethyl)oxolan-2-yl]oxy-3,5-dinitrooxy-6-(nitrooxymethyl)oxan-4-yl] nitrate
Also Known As: Sucrose octanitrate, Sucrose Octanitrate (dry), Sucrose octanitrate (dry) [Forbidden], J3.445.726C, 1,3,4,6-Tetra-O-nitrohex-2-ulofuranosyl 2,3,4,6-tetra-O-nitrohexopyranoside
| Molecular Formula | C12H14N8O27 |
|---|---|
| Molecular Weight | 702.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 468.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 13 |
| Exact Mass | 701.9968 |
| Heavy Atoms | 47 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 30236-29-4 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | OTDZXQINPOLBHS-UGDNZRGBSA-N |
Product Overview
Sucrose octanitrate (CAS 30236-29-4), with molecular formula C12H14N8O27 and molecular weight 702.00 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dinitrooxy-2,5-bis(nitrooxymethyl)oxolan-2-yl]oxy-3,5-dinitrooxy-6-(nitrooxymethyl)oxan-4-yl] nitrate.
Chemical Property Profile of Sucrose octanitrate
Property Insights of Sucrose octanitrate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sucrose octanitrate. The TPSA of 468.0 Ų indicates high polarity, suggesting Sucrose octanitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sucrose octanitrate has 0 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sucrose octanitrate?
The CAS number of Sucrose octanitrate is 30236-29-4.
What is the molecular formula of Sucrose octanitrate?
The molecular formula of Sucrose octanitrate is C12H14N8O27.
What is the molecular weight of Sucrose octanitrate?
The molecular weight of Sucrose octanitrate is 702.00 g/mol.
Where can I buy Sucrose octanitrate?
You can request a quote for Sucrose octanitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sucrose octanitrate?
Yes, KEHONG BIO provides custom synthesis services for Sucrose octanitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.