UKT
(1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol
Created: | 2021-02-28 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 5 |
Bond Count | 26 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol |
Synonyms | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol |
Systematic Name (OpenEye OEToolkits) | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol |
Formula | C7 H14 O5 |
Molecular Weight | 178.183 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)C[CH](O)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C(C1O)O)O)CO)O |
Canonical SMILES | CACTVS | 3.385 | OC[C@H]1[C@H](O)C[C@@H](O)[C@@H](O)[C@@H]1O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O |
InChI | InChI | 1.03 | InChI=1S/C7H14O5/c8-2-3-4(9)1-5(10)7(12)6(3)11/h3-12H,1-2H2/t3-,4+,5+,6+,7+/m0/s1 |
InChIKey | InChI | 1.03 | RRGKETGQYFXIFR-CQOGJGKDSA-N |