(2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
TL;DR: (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS 956567-40-1) is a chemical compound with molecular formula C24H31NO15S and molecular weight 605.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-isothiocyanato-3-[(2R,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyoxan-2-yl]methyl acetate
Also Known As: (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate, [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-isothiocyanato-3-[(2R,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyoxan-2-yl]methyl acetate, 2,3,6-tri-O-acetyl-N-(thioxomethylidene)-4-O-(2,3,4-tri-O-acetyl-alpha-D-xylopyranosyl)-alpha-D-glucopyranosylamine
| Molecular Formula | C24H31NO15S |
|---|---|
| Molecular Weight | 605.14 g/mol |
| LogP | -0.2228 |
| Topological Polar Surface Area | 197.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 605.1414 |
| Heavy Atoms | 41 |
| Complexity | 1059.6558 |
Chemical Identifiers
| CAS Number | 956567-40-1 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)N=C=S)OC(=O)C)OC(=O)C)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
(2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS 956567-40-1), with molecular formula C24H31NO15S and molecular weight 605.14 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-isothiocyanato-3-[(2R,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyoxan-2-yl]methyl acetate.
Chemical Property Profile of (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Property Insights of (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
The XLogP value of -0.2228 indicates that (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.85 Ų indicates high polarity, suggesting (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate has 0 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 (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate?
The CAS number of (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate is 956567-40-1.
What is the molecular formula of (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate?
The molecular formula of (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate is C24H31NO15S.
What is the molecular weight of (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate?
The molecular weight of (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate is 605.14 g/mol.
Where can I buy (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate?
You can request a quote for (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for (2R,3R,4S,5R)-2-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.