D-Glucitol 1-(3-mercaptopropionate)
TL;DR: D-Glucitol 1-(3-mercaptopropionate) (CAS 68928-45-0) is a chemical compound with molecular formula C9H18O7S and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentahydroxyhexyl 3-sulfanylpropanoate
Also Known As: 1-o-(3-sulfanylpropanoyl)hexitol, D-Glucitol 1-(3-mercaptopropionate), D-Glucitol, 1-(3-mercaptopropanoate), 2,3,4,5,6-pentahydroxyhexyl 3-sulfanylpropanoate
| Molecular Formula | C9H18O7S |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 270.07733 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 68928-45-0 |
|---|---|
| SMILES | C(CS)C(=O)OCC(C(C(C(CO)O)O)O)O |
| InChIKey | HFFGLIQNBUXATK-UHFFFAOYSA-N |
Product Overview
D-Glucitol 1-(3-mercaptopropionate) (CAS 68928-45-0), with molecular formula C9H18O7S and molecular weight 270.08 g/mol. IUPAC: 2,3,4,5,6-pentahydroxyhexyl 3-sulfanylpropanoate.
Chemical Property Profile of D-Glucitol 1-(3-mercaptopropionate)
Property Insights of D-Glucitol 1-(3-mercaptopropionate)
The XLogP value of -2.8 indicates that D-Glucitol 1-(3-mercaptopropionate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for D-Glucitol 1-(3-mercaptopropionate). Following Lipinski's Rule of Five, D-Glucitol 1-(3-mercaptopropionate) has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-Glucitol 1-(3-mercaptopropionate)?
The CAS number of D-Glucitol 1-(3-mercaptopropionate) is 68928-45-0.
What is the molecular formula of D-Glucitol 1-(3-mercaptopropionate)?
The molecular formula of D-Glucitol 1-(3-mercaptopropionate) is C9H18O7S.
What is the molecular weight of D-Glucitol 1-(3-mercaptopropionate)?
The molecular weight of D-Glucitol 1-(3-mercaptopropionate) is 270.08 g/mol.
Where can I buy D-Glucitol 1-(3-mercaptopropionate)?
You can request a quote for D-Glucitol 1-(3-mercaptopropionate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Glucitol 1-(3-mercaptopropionate)?
Yes, KEHONG BIO provides custom synthesis services for D-Glucitol 1-(3-mercaptopropionate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.