苦杏仁苷
TL;DR: 苦杏仁苷 (CAS 29883-15-6) 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.
苦杏仁苷
2-phenyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
Also Known As: amygdalin, D-Amygdalin, Amygdaloside, Isoamygdalin, Glucoprunasin
| 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 |
| Melting Point | 214 °C |
Chemical Identifiers
| CAS Number | 29883-15-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O |
| InChIKey | XUCIJNAGGSZNQT-UHFFFAOYSA-N |
Product Overview
苦杏仁苷 (CAS 29883-15-6), with molecular formula C20H27NO11 and molecular weight 457.16 g/mol. IUPAC: 2-phenyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile.
Chemical Property Profile of 苦杏仁苷
Property Insights of 苦杏仁苷
The XLogP value of -2.7 indicates that 苦杏仁苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting 苦杏仁苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苦杏仁苷 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 苦杏仁苷?
The CAS number of 苦杏仁苷 is 29883-15-6.
What is the molecular formula of 苦杏仁苷?
The molecular formula of 苦杏仁苷 is C20H27NO11.
What is the molecular weight of 苦杏仁苷?
The molecular weight of 苦杏仁苷 is 457.16 g/mol.
Where can I buy 苦杏仁苷?
You can request a quote for 苦杏仁苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苦杏仁苷?
Yes, KEHONG BIO provides custom synthesis services for 苦杏仁苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.