矮牵牛素-3-O-葡萄糖苷氯化物
TL;DR: 矮牵牛素-3-O-葡萄糖苷氯化物 (CAS 26984-08-7) is a chemical compound with molecular formula C22H23ClO12 and molecular weight 514.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
矮牵牛素-3-O-葡萄糖苷氯化物
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
Also Known As: Petunidin 3-glucoside, Petunidin 3-monoglucoside, Petunidin 3-O-glucoside, Petunidin-3-O-glucoside chloride, Petunidin-3-glucoside
| Molecular Formula | C22H23ClO12 |
|---|---|
| Molecular Weight | 514.09 g/mol |
| LogP | -2.6054 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.0878 |
| Heavy Atoms | 35 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 26984-08-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O.[Cl-] |
| InChIKey | HBKZHMZCXXQMOX-YATQZQGFSA-N |
Product Overview
矮牵牛素-3-O-葡萄糖苷氯化物 (CAS 26984-08-7), with molecular formula C22H23ClO12 and molecular weight 514.09 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride.
Chemical Property Profile of 矮牵牛素-3-O-葡萄糖苷氯化物
Property Insights of 矮牵牛素-3-O-葡萄糖苷氯化物
The XLogP value of -2.6054 indicates that 矮牵牛素-3-O-葡萄糖苷氯化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting 矮牵牛素-3-O-葡萄糖苷氯化物 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 矮牵牛素-3-O-葡萄糖苷氯化物 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 矮牵牛素-3-O-葡萄糖苷氯化物?
The CAS number of 矮牵牛素-3-O-葡萄糖苷氯化物 is 26984-08-7.
What is the molecular formula of 矮牵牛素-3-O-葡萄糖苷氯化物?
The molecular formula of 矮牵牛素-3-O-葡萄糖苷氯化物 is C22H23ClO12.
What is the molecular weight of 矮牵牛素-3-O-葡萄糖苷氯化物?
The molecular weight of 矮牵牛素-3-O-葡萄糖苷氯化物 is 514.09 g/mol.
Where can I buy 矮牵牛素-3-O-葡萄糖苷氯化物?
You can request a quote for 矮牵牛素-3-O-葡萄糖苷氯化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 矮牵牛素-3-O-葡萄糖苷氯化物?
Yes, KEHONG BIO provides custom synthesis services for 矮牵牛素-3-O-葡萄糖苷氯化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.