5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol
TL;DR: 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol (CAS 65784-85-2) is a chemical compound with molecular formula C13H23NO9 and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol
Also Known As: 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol, 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6
| Molecular Formula | C13H23NO9 |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | -4.6 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.13727 |
| Heavy Atoms | 23 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 65784-85-2 |
|---|---|
| SMILES | COC1C(C(C(C(C1OC2C(C3C(C(O2)CN3)O)O)O)O)O)O |
| InChIKey | NUVUKVCTLYZNAJ-UHFFFAOYSA-N |
Product Overview
5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol (CAS 65784-85-2), with molecular formula C13H23NO9 and molecular weight 337.14 g/mol. IUPAC: 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol.
Chemical Property Profile of 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol
Property Insights of 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol
The XLogP value of -4.6 indicates that 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol?
The CAS number of 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol is 65784-85-2.
What is the molecular formula of 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol?
The molecular formula of 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol is C13H23NO9.
What is the molecular weight of 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol?
The molecular weight of 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol is 337.14 g/mol.
Where can I buy 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol?
You can request a quote for 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4,8-dihydroxy-2-oxa-6-azabicyclo[3.2.1]octan-3-yl)oxy]-6-methoxycyclohexane-1,2,3,4-tetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.