扁桃苷
TL;DR: 扁桃苷 (CAS 672-72-0) is a chemical compound with molecular formula C20H27NO11 and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
扁桃苷
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
Also Known As: amygdalin, D-Amygdalin, (R)-Amygdalin, Amygdaloside, Laetrile
| Molecular Formula | C20H27NO11 |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.15842 |
| Heavy Atoms | 32 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 672-72-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O |
| InChIKey | XUCIJNAGGSZNQT-JHSLDZJXSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
扁桃苷 (CAS 672-72-0), with molecular formula C20H27NO11 and molecular weight 457.16 g/mol. IUPAC: (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile.
Chemical Property Profile of 扁桃苷
Property Insights of 扁桃苷
The XLogP value of -2.7 indicates that 扁桃苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting 扁桃苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 扁桃苷 has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 扁桃苷?
The CAS number of 扁桃苷 is 672-72-0.
What is the molecular formula of 扁桃苷?
The molecular formula of 扁桃苷 is C20H27NO11.
What is the molecular weight of 扁桃苷?
The molecular weight of 扁桃苷 is 457.16 g/mol.
Where can I buy 扁桃苷?
You can request a quote for 扁桃苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 扁桃苷?
Yes, KEHONG BIO provides custom synthesis services for 扁桃苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.