Rutin sulfate
TL;DR: Rutin sulfate (CAS 77271-53-5) is a chemical compound with molecular formula C27H32O20S and molecular weight 708.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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-4-one;sulfuric acid
Also Known As: Rutin sulfate, Rutocide, Rutinsulfate, Rutin sodium sulfate, Rutin mono(hydrogen sulfate), monosodium salt
| Molecular Formula | C27H32O20S |
|---|---|
| Molecular Weight | 708.12 g/mol |
| LogP | -2.3399 |
| Topological Polar Surface Area | 344.03 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 708.1208 |
| Heavy Atoms | 48 |
| Complexity | 1769.0765 |
Chemical Identifiers
| CAS Number | 77271-53-5 |
|---|---|
| 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=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O |
Product Overview
Rutin sulfate (CAS 77271-53-5), with molecular formula C27H32O20S and molecular weight 708.12 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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-4-one;sulfuric acid.
Chemical Property Profile of Rutin sulfate
Property Insights of Rutin sulfate
The XLogP value of -2.3399 indicates that Rutin sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 344.03 Ų indicates high polarity, suggesting Rutin sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rutin sulfate 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 sulfate?
The CAS number of Rutin sulfate is 77271-53-5.
What is the molecular formula of Rutin sulfate?
The molecular formula of Rutin sulfate is C27H32O20S.
What is the molecular weight of Rutin sulfate?
The molecular weight of Rutin sulfate is 708.12 g/mol.
Where can I buy Rutin sulfate?
You can request a quote for Rutin sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rutin sulfate?
Yes, KEHONG BIO provides custom synthesis services for Rutin sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.