蜀黍苷
TL;DR: 蜀黍苷 (CAS 5449-21-8) is a chemical compound with molecular formula C14H17NO7 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蜀黍苷
(2S)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Also Known As: Dhurrin, DHURRIN [MI], Dhurrin, >=95% (HPLC), 1e55, (S)-4-Hydroxymandelonitrile beta-D-glucoside
| Molecular Formula | C14H17NO7 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1005 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 5449-21-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O |
| InChIKey | NVLTYOJHPBMILU-YOVYLDAJSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
蜀黍苷 (CAS 5449-21-8), with molecular formula C14H17NO7 and molecular weight 311.10 g/mol. IUPAC: (2S)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile.
Chemical Property Profile of 蜀黍苷
Property Insights of 蜀黍苷
The XLogP value of -0.9 indicates that 蜀黍苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 蜀黍苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 蜀黍苷 has 5 hydrogen bond donor(s) and 8 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 蜀黍苷?
The CAS number of 蜀黍苷 is 5449-21-8.
What is the molecular formula of 蜀黍苷?
The molecular formula of 蜀黍苷 is C14H17NO7.
What is the molecular weight of 蜀黍苷?
The molecular weight of 蜀黍苷 is 311.10 g/mol.
Where can I buy 蜀黍苷?
You can request a quote for 蜀黍苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蜀黍苷?
Yes, KEHONG BIO provides custom synthesis services for 蜀黍苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.