1-C-Chlorohex-2-ulofuranosyl hexopyranoside
TL;DR: 1-C-Chlorohex-2-ulofuranosyl hexopyranoside (CAS 64644-62-8) is a chemical compound with molecular formula C12H21ClO11 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[chloro(hydroxy)methyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: 1-Chlorosucrose, 1-Chloro-1-deoxysucrose, 1-C-Chlorohex-2-ulofuranosyl hexopyranoside, (1xi)-1-C-Chloro-alpha-D-fructofuranosyl alpha-D-glucopyranoside, (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[chloro(hydroxy)methyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C12H21ClO11 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | -4.8307 |
| Topological Polar Surface Area | 189.53 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.07724 |
| Heavy Atoms | 24 |
| Complexity | 423.8083 |
Chemical Identifiers
| CAS Number | 64644-62-8 |
|---|---|
| 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)O)O)C(O)Cl)O)O)O)O |
Product Overview
1-C-Chlorohex-2-ulofuranosyl hexopyranoside (CAS 64644-62-8), with molecular formula C12H21ClO11 and molecular weight 376.08 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[chloro(hydroxy)methyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 1-C-Chlorohex-2-ulofuranosyl hexopyranoside
Property Insights of 1-C-Chlorohex-2-ulofuranosyl hexopyranoside
The XLogP value of -4.8307 indicates that 1-C-Chlorohex-2-ulofuranosyl hexopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.53 Ų indicates high polarity, suggesting 1-C-Chlorohex-2-ulofuranosyl hexopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-C-Chlorohex-2-ulofuranosyl hexopyranoside has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-C-Chlorohex-2-ulofuranosyl hexopyranoside?
The CAS number of 1-C-Chlorohex-2-ulofuranosyl hexopyranoside is 64644-62-8.
What is the molecular formula of 1-C-Chlorohex-2-ulofuranosyl hexopyranoside?
The molecular formula of 1-C-Chlorohex-2-ulofuranosyl hexopyranoside is C12H21ClO11.
What is the molecular weight of 1-C-Chlorohex-2-ulofuranosyl hexopyranoside?
The molecular weight of 1-C-Chlorohex-2-ulofuranosyl hexopyranoside is 376.08 g/mol.
Where can I buy 1-C-Chlorohex-2-ulofuranosyl hexopyranoside?
You can request a quote for 1-C-Chlorohex-2-ulofuranosyl hexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-C-Chlorohex-2-ulofuranosyl hexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 1-C-Chlorohex-2-ulofuranosyl hexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.