Neoamygdalin
TL;DR: Neoamygdalin (CAS 29883-16-7) 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.
(2S)-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: Neoamygdalin, amygdalin, L-Amylgdalin, L-AMYGDALIN, (S)-Amylgdalin
| 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 | 29883-16-7 |
|---|---|
| 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-UUGBRMIUSA-N |
Product Overview
Neoamygdalin (CAS 29883-16-7), with molecular formula C20H27NO11 and molecular weight 457.16 g/mol. IUPAC: (2S)-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 Neoamygdalin
Property Insights of Neoamygdalin
The XLogP value of -2.7 indicates that Neoamygdalin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Neoamygdalin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neoamygdalin 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 Neoamygdalin?
The CAS number of Neoamygdalin is 29883-16-7.
What is the molecular formula of Neoamygdalin?
The molecular formula of Neoamygdalin is C20H27NO11.
What is the molecular weight of Neoamygdalin?
The molecular weight of Neoamygdalin is 457.16 g/mol.
Where can I buy Neoamygdalin?
You can request a quote for Neoamygdalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoamygdalin?
Yes, KEHONG BIO provides custom synthesis services for Neoamygdalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.