OYO
(3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
Created: | 2023-02-24 |
Last modified: | 2023-08-16 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 4 |
Bond Count | 28 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol |
Systematic Name (OpenEye OEToolkits) | (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol |
Formula | C8 H14 O5 |
Molecular Weight | 190.194 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC1(C)O[CH]2O[CH](CO)[CH](O)[CH]2O1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(OC2C(C(OC2O1)CO)O)C |
Canonical SMILES | CACTVS | 3.385 | CC1(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC1(O[C@H]2[C@@H]([C@H](O[C@H]2O1)CO)O)C |
InChI | InChI | 1.06 | InChI=1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1 |
InChIKey | InChI | 1.06 | JAUQZVBVVJJRKM-JWXFUTCRSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 719731 |