水杨苷
TL;DR: 水杨苷 (CAS 138-52-3) is a chemical compound with molecular formula C13H18O7 and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水杨苷
2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
Also Known As: salicin, Salicoside, Salicine, D-Salicin, D(-)-Salicin
| Molecular Formula | C13H18O7 |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.10526 |
| Heavy Atoms | 20 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 138-52-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O |
| InChIKey | NGFMICBWJRZIBI-UHFFFAOYSA-N |
Product Overview
水杨苷 (CAS 138-52-3), with molecular formula C13H18O7 and molecular weight 286.11 g/mol. IUPAC: 2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol.
Chemical Property Profile of 水杨苷
Property Insights of 水杨苷
The XLogP value of -1.2 indicates that 水杨苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 水杨苷. Following Lipinski's Rule of Five, 水杨苷 has 5 hydrogen bond donor(s) and 7 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 水杨苷?
The CAS number of 水杨苷 is 138-52-3.
What is the molecular formula of 水杨苷?
The molecular formula of 水杨苷 is C13H18O7.
What is the molecular weight of 水杨苷?
The molecular weight of 水杨苷 is 286.11 g/mol.
Where can I buy 水杨苷?
You can request a quote for 水杨苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨苷?
Yes, KEHONG BIO provides custom synthesis services for 水杨苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.