| Sonrisas canónicas | CCOC(=O)C1=CC=C(C=C1)NC(=O)OC2C(OC(C(C2OC(=O)NC3=CC4=C(C=C3)OCO4)OC(=O)NC5=CC6=C(C=C5)OCO6)OC)CO |
|---|---|
| IUPAC Name | ethyl 4-[[(2R,3R,4S,5R,6S)-4,5-bis(1,3-benzodioxol-5-ylcarbamoyloxy)-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxycarbonylamino]benzoate |
| InChIKey | AAOLIMLEFKWKOY-IXMSMLDRSA-N |
| INCHI | 1S/C33H33N3O15/c1-3-43-29(38)17-4-6-18(7-5-17)34-31(39)49-26-25(14-37)48-30(42-2)28(51-33(41)36-20-9-11-22-24(13-20)47-16-45-22)27(26)50-32(40)35-19-8-10-21-23(12-19)46-15-44-21/h4-13,25-28,30,37H,3,14-16H2,1-2H3,(H,34,39)(H,35,40)(H,36,41)/t25-,26-,27+,28-,30+/m1/s1 |
| Isómeros SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)NC3=CC4=C(C=C3)OCO4)OC(=O)NC5=CC6=C(C=C5)OCO6)OC)CO |
| PubChem CID | 23891512 |
| Peso molecular | 711.63 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Glycosyl compounds |
| Direct Parent | O-glycosyl compounds |
| Alternative Parents | Phenylcarbamic acid esters Benzoic acid esters Benzodioxoles Benzoyl derivatives Oxanes Monosaccharides Carbamate esters Carboxylic acid esters Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | O-glycosyl compound - Phenylcarbamic acid ester - Benzoate ester - Benzodioxole - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Oxane - Monosaccharide - Carbamic acid ester - Carboxylic acid ester - Oxacycle - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Alcohol - Organopnictogen compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. |
| External Descriptors | Not available |
| Peso molecular | 711.600 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 14 |
| Exact Mass | 711.191 Da |
| Monoisotopic Mass | 711.191 Da |
| Topological Polar Surface Area | 217.000 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1200.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
