Isoamygdalin
TL;DR: Isoamygdalin (CAS 51371-34-7) 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.
2-phenyl-2-[(2R,5S)-3,4,5-trihydroxy-6-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
Also Known As: Isoamygdalin, D,L-Amygdalin, amygdalin, D,L-MANDELONITRILE, beta-D-GENTIOBIOSIDE, D,L-Mandelonitrile beta-D-glucosido-6-beta-glucoside
| 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 | 51371-34-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)O[C@H]2C(C([C@@H](C(O2)CO[C@H]3C(C([C@@H](C(O3)CO)O)O)O)O)O)O |
| InChIKey | XUCIJNAGGSZNQT-TUOMJYDBSA-N |
Product Overview
Isoamygdalin (CAS 51371-34-7), with molecular formula C20H27NO11 and molecular weight 457.16 g/mol. IUPAC: 2-phenyl-2-[(2R,5S)-3,4,5-trihydroxy-6-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile.
Chemical Property Profile of Isoamygdalin
Property Insights of Isoamygdalin
The XLogP value of -2.7 indicates that Isoamygdalin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Isoamygdalin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoamygdalin 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 Isoamygdalin?
The CAS number of Isoamygdalin is 51371-34-7.
What is the molecular formula of Isoamygdalin?
The molecular formula of Isoamygdalin is C20H27NO11.
What is the molecular weight of Isoamygdalin?
The molecular weight of Isoamygdalin is 457.16 g/mol.
Where can I buy Isoamygdalin?
You can request a quote for Isoamygdalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamygdalin?
Yes, KEHONG BIO provides custom synthesis services for Isoamygdalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.