PSV
alpha-D-psicofuranose
Created: | 2009-09-10 |
Last modified: | 2020-07-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 4 |
Bond Count | 24 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | alpha-D-psicofuranose |
Synonyms | alpha-D-psicose; D-psicose; psicose |
Systematic Name (OpenEye OEToolkits) | (2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol |
Formula | C6 H12 O6 |
Molecular Weight | 180.156 |
Type | D-SACCHARIDE, ALPHA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | OC1C(O)C(OC1(O)CO)CO |
SMILES | CACTVS | 3.352 | OC[CH]1O[C](O)(CO)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 1.7.0 | C(C1C(C(C(O1)(CO)O)O)O)O |
Canonical SMILES | CACTVS | 3.352 | OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1 |
InChIKey | InChI | 1.03 | RFSUNEUAIZKAJO-KAZBKCHUSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 21581131 |