锦葵苷
TL;DR: 锦葵苷 (CAS 16727-30-3) is a chemical compound with molecular formula C29H35ClO17 and molecular weight 690.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
锦葵苷
(2S,3R,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
Also Known As: MALVIN, MALVIDIN 3,5-DIGLUCOSIDE, 5-[(3xi)-, A-d-ribo-hexopyranosyloxy]-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl, A-l-glucopyranoside chloride
| Molecular Formula | C29H35ClO17 |
|---|---|
| Molecular Weight | 690.16 g/mol |
| LogP | -4.83 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 690.15625 |
| Heavy Atoms | 47 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 16727-30-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H](C([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O.[Cl-] |
| InChIKey | RHKJIVJBQJXLBY-KZQMINNISA-N |
Product Overview
锦葵苷 (CAS 16727-30-3), with molecular formula C29H35ClO17 and molecular weight 690.16 g/mol. IUPAC: (2S,3R,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride.
Chemical Property Profile of 锦葵苷
Property Insights of 锦葵苷
The XLogP value of -4.83 indicates that 锦葵苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting 锦葵苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 锦葵苷 has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 锦葵苷?
The CAS number of 锦葵苷 is 16727-30-3.
What is the molecular formula of 锦葵苷?
The molecular formula of 锦葵苷 is C29H35ClO17.
What is the molecular weight of 锦葵苷?
The molecular weight of 锦葵苷 is 690.16 g/mol.
Where can I buy 锦葵苷?
You can request a quote for 锦葵苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 锦葵苷?
Yes, KEHONG BIO provides custom synthesis services for 锦葵苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.