苦杏仁酸
TL;DR: 苦杏仁酸 (CAS 66427-92-7) is a chemical compound with molecular formula C20H28O13 and molecular weight 476.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苦杏仁酸
(2R)-2-phenyl-2-[(2S,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]oxyacetic acid
Also Known As: Amygdalinic acid, J1.860.633J, Benzeneacetic acid, alpha-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-, (R)-, (2R)-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetic acid, (2R)-2-[6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy]-2-phenylacetic acid
| Molecular Formula | C20H28O13 |
|---|---|
| Molecular Weight | 476.15 g/mol |
| LogP | -3.547 |
| Topological Polar Surface Area | 215.83 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.15298 |
| Heavy Atoms | 33 |
| Complexity | 761.58575 |
Chemical Identifiers
| CAS Number | 66427-92-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@H](C(=O)O)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 |
Product Overview
苦杏仁酸 (CAS 66427-92-7), with molecular formula C20H28O13 and molecular weight 476.15 g/mol. IUPAC: (2R)-2-phenyl-2-[(2S,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]oxyacetic acid.
Chemical Property Profile of 苦杏仁酸
Property Insights of 苦杏仁酸
The XLogP value of -3.547 indicates that 苦杏仁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.83 Ų indicates high polarity, suggesting 苦杏仁酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苦杏仁酸 has 8 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 苦杏仁酸?
The CAS number of 苦杏仁酸 is 66427-92-7.
What is the molecular formula of 苦杏仁酸?
The molecular formula of 苦杏仁酸 is C20H28O13.
What is the molecular weight of 苦杏仁酸?
The molecular weight of 苦杏仁酸 is 476.15 g/mol.
Where can I buy 苦杏仁酸?
You can request a quote for 苦杏仁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苦杏仁酸?
Yes, KEHONG BIO provides custom synthesis services for 苦杏仁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.