1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol
TL;DR: 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol (CAS 110085-92-2) is a chemical compound with molecular formula C13H21NO6 and molecular weight 287.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(1R,2R)-2-nitrocyclopropyl]-1,3-dioxolane
Also Known As: Dipmnm, 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol, (4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(1R,2R)-2-nitrocyclopropyl]-1,3-dioxolane, 2,2,2',2'-Tetramethyl-5-(2-nitrocyclopropyl)-4,4'-bi-1,3-dioxolane, (4s,4'r,5r)-2,2,2',2'-tetramethyl-5-[(1r,2r)-2-nitrocyclopropyl]-4,4'-bi-1,3-dioxolane
| Molecular Formula | C13H21NO6 |
|---|---|
| Molecular Weight | 287.14 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.1369 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 110085-92-2 |
|---|---|
| SMILES | CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)[C@@H]3C[C@H]3[N+](=O)[O-])C |
| InChIKey | KLLYNDAIAVVQIS-ISUQUUIWSA-N |
Product Overview
1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol (CAS 110085-92-2), with molecular formula C13H21NO6 and molecular weight 287.14 g/mol. IUPAC: (4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(1R,2R)-2-nitrocyclopropyl]-1,3-dioxolane.
Chemical Property Profile of 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol
Property Insights of 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol. Following Lipinski's Rule of Five, 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol 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 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol?
The CAS number of 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol is 110085-92-2.
What is the molecular formula of 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol?
The molecular formula of 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol is C13H21NO6.
What is the molecular weight of 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol?
The molecular weight of 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol is 287.14 g/mol.
Where can I buy 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol?
You can request a quote for 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dideoxy-3,4,5,6-di-O-isopropylidene-1,2-C-methylene-1-nitromannitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.