Maltosyl isothiocyanate
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Maltosyl isothiocyanate|LITC|d-glucopyranosyl isothiocyanate, 4-o-|A-d-glucopyranosyl-|D-Glucopyranosyl isothiocyanate, 4-O-alpha-D-glucopyranosyl-|(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C13H21NO10S |
|---|---|
| Molecular Weight | 383.08862 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.08862 |
| Monoisotopic Mass | 383.08862 |
| Heavy Atoms | 25 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 73027-03-9 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)N=C=S)CO)O)O)O)O |
| InChIKey | ZBRBEHIGVFMFAH-NPZHFXNTSA-N |
Product Overview
Maltosyl isothiocyanate (CAS 73027-03-9), with molecular formula C13H21NO10S and molecular weight 383.08862 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
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