7CV
6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose
Created: | 2016-10-05 |
Last modified: | 2020-07-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 5 |
Bond Count | 29 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose |
Synonyms | 6-deoxy-2,3-di-O-methyl-alpha-L-mannose; 6-deoxy-2,3-di-O-methyl-L-mannose; 6-deoxy-2,3-di-O-methyl-mannose |
Systematic Name (OpenEye OEToolkits) | (2~{R},3~{R},4~{R},5~{S},6~{S})-3,4-dimethoxy-6-methyl-oxane-2,5-diol |
Formula | C8 H16 O5 |
Molecular Weight | 192.21 |
Type | L-SACCHARIDE, ALPHA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(O)C(OC)C(C(C(O1)C)O)OC |
SMILES | CACTVS | 3.385 | CO[CH]1[CH](O)O[CH](C)[CH](O)[CH]1OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(C(C(C(O1)O)OC)OC)O |
Canonical SMILES | CACTVS | 3.385 | CO[C@H]1[C@H](O)O[C@@H](C)[C@H](O)[C@H]1OC |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)OC)OC)O |
InChI | InChI | 1.03 | InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7+,8+/m0/s1 |
InChIKey | InChI | 1.03 | SXWBIRCAXZNEGK-TVNFTVLESA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 12313034 |