飞燕草素3-鼠李糖苷葡萄糖苷氯化物
TL;DR: 飞燕草素3-鼠李糖苷葡萄糖苷氯化物 (CAS 29732-48-7) is a chemical compound with molecular formula C27H31ClO16 and molecular weight 646.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
飞燕草素3-鼠李糖苷葡萄糖苷氯化物
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol chloride
Also Known As: Delphinidin 3-rhamnoglucoside chloride, 3-((O-(6-Deoxymannosyl)glucosyl)oxy)-3',4',5,5',7-pentahydroxyflavylium chloride, Flavylium, 3-((O-(6-deoxymannosyl)glucosyl)oxy)-3',4',5,5',7-pentahydroxy-, chloride, (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol chloride, RefChem:336794
| Molecular Formula | C27H31ClO16 |
|---|---|
| Molecular Weight | 646.13 g/mol |
| LogP | -4.0566 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 646.13007 |
| Heavy Atoms | 44 |
| Complexity | 902.0 |
Chemical Identifiers
| CAS Number | 29732-48-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)CO)O)O)O)O)O.[Cl-] |
| InChIKey | CLRKHYOLBAUFIF-MOIZHYHLSA-N |
Product Overview
飞燕草素3-鼠李糖苷葡萄糖苷氯化物 (CAS 29732-48-7), with molecular formula C27H31ClO16 and molecular weight 646.13 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol chloride.
Chemical Property Profile of 飞燕草素3-鼠李糖苷葡萄糖苷氯化物
Property Insights of 飞燕草素3-鼠李糖苷葡萄糖苷氯化物
The XLogP value of -4.0566 indicates that 飞燕草素3-鼠李糖苷葡萄糖苷氯化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.0 Ų indicates high polarity, suggesting 飞燕草素3-鼠李糖苷葡萄糖苷氯化物 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 飞燕草素3-鼠李糖苷葡萄糖苷氯化物 has 11 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 飞燕草素3-鼠李糖苷葡萄糖苷氯化物?
The CAS number of 飞燕草素3-鼠李糖苷葡萄糖苷氯化物 is 29732-48-7.
What is the molecular formula of 飞燕草素3-鼠李糖苷葡萄糖苷氯化物?
The molecular formula of 飞燕草素3-鼠李糖苷葡萄糖苷氯化物 is C27H31ClO16.
What is the molecular weight of 飞燕草素3-鼠李糖苷葡萄糖苷氯化物?
The molecular weight of 飞燕草素3-鼠李糖苷葡萄糖苷氯化物 is 646.13 g/mol.
Where can I buy 飞燕草素3-鼠李糖苷葡萄糖苷氯化物?
You can request a quote for 飞燕草素3-鼠李糖苷葡萄糖苷氯化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 飞燕草素3-鼠李糖苷葡萄糖苷氯化物?
Yes, KEHONG BIO provides custom synthesis services for 飞燕草素3-鼠李糖苷葡萄糖苷氯化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.