7-Chlorodeutziol
TL;DR: 7-Chlorodeutziol (CAS 83889-82-1) is a chemical compound with molecular formula C15H23ClO9 and molecular weight 382.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R,6S)-6-[[(4aS,7R,7aS)-7-hydroxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-2-[(R)-chloro(hydroxy)methyl]-3-methyloxane-2,3,4,5-tetrol
Also Known As: 7-Chlorodeutziol, beta-D-Glucopyranoside, (1S,4aS,5S,6R,7R,7aS)-6-chloro-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-4-methylcyclopenta(c)pyran-1-yl, (2S,3S,4R,5R,6S)-6-[[(4aS,7R,7aS)-7-hydroxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-2-[(R)-chloro(hydroxy)methyl]-3-methyloxane-2,3,4,5-tetrol, RefChem:105952
| Molecular Formula | C15H23ClO9 |
|---|---|
| Molecular Weight | 382.10 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.10306 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 83889-82-1 |
|---|---|
| SMILES | C[C@@]1([C@@H]([C@H]([C@H](O[C@@]1([C@H](O)Cl)O)OC2[C@H]3[C@@H](CC[C@H]3O)C=CO2)O)O)O |
| InChIKey | AYQKGMROTKDMDX-AWWIYYALSA-N |
Product Overview
7-Chlorodeutziol (CAS 83889-82-1), with molecular formula C15H23ClO9 and molecular weight 382.10 g/mol. IUPAC: (2S,3S,4R,5R,6S)-6-[[(4aS,7R,7aS)-7-hydroxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-2-[(R)-chloro(hydroxy)methyl]-3-methyloxane-2,3,4,5-tetrol.
Chemical Property Profile of 7-Chlorodeutziol
Property Insights of 7-Chlorodeutziol
The XLogP value of -1.2 indicates that 7-Chlorodeutziol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 7-Chlorodeutziol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Chlorodeutziol has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Chlorodeutziol?
The CAS number of 7-Chlorodeutziol is 83889-82-1.
What is the molecular formula of 7-Chlorodeutziol?
The molecular formula of 7-Chlorodeutziol is C15H23ClO9.
What is the molecular weight of 7-Chlorodeutziol?
The molecular weight of 7-Chlorodeutziol is 382.10 g/mol.
Where can I buy 7-Chlorodeutziol?
You can request a quote for 7-Chlorodeutziol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chlorodeutziol?
Yes, KEHONG BIO provides custom synthesis services for 7-Chlorodeutziol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.