N46
(2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate
Created: | 2022-03-23 |
Last modified: | 2022-07-20 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 1 |
Bond Count | 21 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate |
Systematic Name (OpenEye OEToolkits) | [(2~{R})-2-oxidanyl-3,4-bis(oxidanylidene)pentyl] dihydrogen phosphate |
Formula | C5 H9 O7 P |
Molecular Weight | 212.095 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC(O)C(=O)C(C)=O |
SMILES | CACTVS | 3.385 | CC(=O)C(=O)[CH](O)CO[P](O)(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C(=O)C(COP(=O)(O)O)O |
Canonical SMILES | CACTVS | 3.385 | CC(=O)C(=O)[C@H](O)CO[P](O)(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C(=O)[C@@H](COP(=O)(O)O)O |
InChI | InChI | 1.03 | InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m1/s1 |
InChIKey | InChI | 1.03 | DTZHMTDUIGHESZ-SCSAIBSYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 102068918 |