黑果越橘苷
TL;DR: 黑果越橘苷 (CAS 6906-38-3) is a chemical compound with molecular formula C21H21O12+ and molecular weight 465.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黑果越橘苷
(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Delphinidin 3-glucoside, Delphinidin 3-O-glucoside, Mirtillin, Myrtillin, Myrtillin A
| Molecular Formula | C21H21O12+ |
|---|---|
| Molecular Weight | 465.10 g/mol |
| LogP | 0.0876 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.1033 |
| Heavy Atoms | 33 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 6906-38-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)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 |
| InChIKey | XENHPQQLDPAYIJ-PEVLUNPASA-O |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
黑果越橘苷 (CAS 6906-38-3), with molecular formula C21H21O12+ and molecular weight 465.10 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 黑果越橘苷
Property Insights of 黑果越橘苷
The XLogP value of 0.0876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 黑果越橘苷. The TPSA of 202.0 Ų indicates high polarity, suggesting 黑果越橘苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 黑果越橘苷 has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 黑果越橘苷?
The CAS number of 黑果越橘苷 is 6906-38-3.
What is the molecular formula of 黑果越橘苷?
The molecular formula of 黑果越橘苷 is C21H21O12+.
What is the molecular weight of 黑果越橘苷?
The molecular weight of 黑果越橘苷 is 465.10 g/mol.
Where can I buy 黑果越橘苷?
You can request a quote for 黑果越橘苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黑果越橘苷?
Yes, KEHONG BIO provides custom synthesis services for 黑果越橘苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.