Rutin S
TL;DR: Rutin S (CAS 64755-26-6) is a chemical compound with molecular formula C34H43NO18 and molecular weight 753.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[6-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-yl]-2,3-dihydroxyphenyl]methylamino]hexanoic acid
Also Known As: Rutin S, Hexanoic acid, 6-(((6-(3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl)methyl)amino)-, 6-[[6-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-yl]-2,3-dihydroxyphenyl]methylamino]hexanoic acid, 6-((6-(5,7-dihydroxy-4-oxo-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-2-yl)-2,3-dihydroxyphenyl)methylamino)hexanoic acid, 6-({[6-(3-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]methyl}amino)hexanoic acid
| Molecular Formula | C34H43NO18 |
|---|---|
| Molecular Weight | 753.25 g/mol |
| LogP | -0.9525 |
| Topological Polar Surface Area | 318.76 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 753.248 |
| Heavy Atoms | 53 |
| Complexity | 1816.5387 |
Chemical Identifiers
| CAS Number | 64755-26-6 |
|---|---|
| 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=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=C(C=C5)O)O)CNCCCCCC(=O)O)O)O)O)O)O)O |
Product Overview
Rutin S (CAS 64755-26-6), with molecular formula C34H43NO18 and molecular weight 753.25 g/mol. IUPAC: 6-[[6-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-yl]-2,3-dihydroxyphenyl]methylamino]hexanoic acid.
Chemical Property Profile of Rutin S
Property Insights of Rutin S
The XLogP value of -0.9525 indicates that Rutin S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 318.76 Ų indicates high polarity, suggesting Rutin S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rutin S has 12 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rutin S?
The CAS number of Rutin S is 64755-26-6.
What is the molecular formula of Rutin S?
The molecular formula of Rutin S is C34H43NO18.
What is the molecular weight of Rutin S?
The molecular weight of Rutin S is 753.25 g/mol.
Where can I buy Rutin S?
You can request a quote for Rutin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rutin S?
Yes, KEHONG BIO provides custom synthesis services for Rutin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.