F2P
1,6-DI-O-PHOSPHONO-D-ALLITOL
Created: | 2004-09-27 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 36 |
Chiral Atom Count | 4 |
Bond Count | 35 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 1,6-DI-O-PHOSPHONO-D-ALLITOL |
Systematic Name (OpenEye OEToolkits) | [(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl] dihydrogen phosphate |
Formula | C6 H16 O12 P2 |
Molecular Weight | 342.132 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(O)C(O)C(O)COP(=O)(O)O |
SMILES | CACTVS | 3.341 | O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(C(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O |
Canonical SMILES | CACTVS | 3.341 | O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4+,5-,6+ |
InChIKey | InChI | 1.03 | WOYYTQHMNDWRCW-FBXFSONDSA-N |
Drug Info: DrugBank
DrugBank ID | DB02760 |
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Name | 1,6-Di-O-Phosphono-D-Allitol |
Groups | experimental |
Synonyms | 1,6-Di-O-Phosphono-D-Allitol |
Related Resource References
Resource Name | Reference |
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PubChem | 5288174 |