金鱼草苷
TL;DR: 金鱼草苷 (CAS 18719-76-1) is a chemical compound with molecular formula C27H31ClO15 and molecular weight 630.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
金鱼草苷
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol chloride
Also Known As: Keracyanin chloride, Antirrhinin, Sambucin, Prunicyanin, Keracyanine
| Molecular Formula | C27H31ClO15 |
|---|---|
| Molecular Weight | 630.14 g/mol |
| LogP | -3.76 |
| Topological Polar Surface Area | 240.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 630.13513 |
| Heavy Atoms | 43 |
| Complexity | 882.0 |
Chemical Identifiers
| CAS Number | 18719-76-1 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O.[Cl-] |
| InChIKey | ADZHXBNWNZIHIX-XYGAWYNKSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
金鱼草苷 (CAS 18719-76-1), with molecular formula C27H31ClO15 and molecular weight 630.14 g/mol. IUPAC: (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol chloride.
Chemical Property Profile of 金鱼草苷
Property Insights of 金鱼草苷
The XLogP value of -3.76 indicates that 金鱼草苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 240.0 Ų indicates high polarity, suggesting 金鱼草苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 金鱼草苷 has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 金鱼草苷?
The CAS number of 金鱼草苷 is 18719-76-1.
What is the molecular formula of 金鱼草苷?
The molecular formula of 金鱼草苷 is C27H31ClO15.
What is the molecular weight of 金鱼草苷?
The molecular weight of 金鱼草苷 is 630.14 g/mol.
Where can I buy 金鱼草苷?
You can request a quote for 金鱼草苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 金鱼草苷?
Yes, KEHONG BIO provides custom synthesis services for 金鱼草苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.