Rubranitrose
TL;DR: Rubranitrose (CAS 80780-43-4) is a chemical compound with molecular formula C8H15NO5 and molecular weight 205.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-ol
Also Known As: Rubranitrose, Tetrahydro-5-methoxy-4,6-dimethyl-4-nitro-2H-pyran-2-ol, (4R,5S,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-ol, 2,3,6-trideoxy-3-methyl-4-o-methyl-3-nitro-l-xylo-hexopyranose, 2,3,6-Trideoxy-3-methyl-4-O-methyl-3-nitrohexopyranose
| Molecular Formula | C8H15NO5 |
|---|---|
| Molecular Weight | 205.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.09502 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 80780-43-4 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@](CC(O1)O)(C)[N+](=O)[O-])OC |
| InChIKey | GKZOPUJKVPZFRV-KTGGKTQHSA-N |
Product Overview
Rubranitrose (CAS 80780-43-4), with molecular formula C8H15NO5 and molecular weight 205.10 g/mol. IUPAC: (4R,5S,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-ol.
Chemical Property Profile of Rubranitrose
Property Insights of Rubranitrose
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rubranitrose. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Rubranitrose. Following Lipinski's Rule of Five, Rubranitrose has 1 hydrogen bond donor(s) and 5 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 Rubranitrose?
The CAS number of Rubranitrose is 80780-43-4.
What is the molecular formula of Rubranitrose?
The molecular formula of Rubranitrose is C8H15NO5.
What is the molecular weight of Rubranitrose?
The molecular weight of Rubranitrose is 205.10 g/mol.
Where can I buy Rubranitrose?
You can request a quote for Rubranitrose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubranitrose?
Yes, KEHONG BIO provides custom synthesis services for Rubranitrose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.