VPH
methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate
Created: | 2023-03-24 |
Last modified: | 2023-09-13 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 4 |
Bond Count | 28 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate |
Systematic Name (OpenEye OEToolkits) | methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate |
Formula | C8 H14 O6 |
Molecular Weight | 206.193 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1 |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C1CC(C(C(O1)CO)O)O |
Canonical SMILES | CACTVS | 3.385 | COC(=O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@H]1C[C@H]([C@H]([C@H](O1)CO)O)O |
InChI | InChI | 1.06 | InChI=1S/C8H14O6/c1-13-8(12)5-2-4(10)7(11)6(3-9)14-5/h4-7,9-11H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1 |
InChIKey | InChI | 1.06 | GCROCZNWGKBWPY-DBRKOABJSA-N |