ARW
methyl beta-D-arabinopyranoside
Created: | 2005-04-12 |
Last modified: | 2020-07-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 4 |
Bond Count | 23 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | methyl beta-D-arabinopyranoside |
Synonyms | methyl beta-D-arabinoside; methyl D-arabinoside; methyl arabinoside |
Systematic Name (OpenEye OEToolkits) | (2R,3S,4R,5R)-2-methoxyoxane-3,4,5-triol |
Formula | C6 H12 O5 |
Molecular Weight | 164.156 |
Type | D-SACCHARIDE |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C(O)C(O)COC1OC |
SMILES | CACTVS | 3.341 | CO[CH]1OC[CH](O)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 1.5.0 | COC1C(C(C(CO1)O)O)O |
Canonical SMILES | CACTVS | 3.341 | CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5+,6-/m1/s1 |
InChIKey | InChI | 1.03 | ZBDGHWFPLXXWRD-ARQDHWQXSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 6102754 |
CCDC/CSD | MBLARB |