| Properties | Image |
MNX_ID | MNXM1106894 |
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reference | keggC:C18341 |
formula | C6H12Na3O9P |
global charge | 0 |
mol weight | 328.097 |
InChIKey | COYLQACMBFDVGI-BBMIDSLUSA-N |
InChI | InChI=1S/C6H9O9P.3Na.3H/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;;;;/t2-,4+;;;;;;/m0....../s1 |
SMILES | O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O.[NaH].[NaH].[NaH] |
MNX internals
InChI (mnx) | InChI=1/C6H9O9P.3Na.3H/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;;;;/t2-,4+;;;;;;/m0....../s1 |
 |
SMILES (mnx) | [CH2:1]([C@@H:2]([C@@H:4]1[C:3]([OH:9])=[C:5]([O:15][P:16]([OH:11])([OH:12])=[O:13])[C:6](=[O:10])[O:14]1)[OH:8])[OH:7].[H].[H].[H].[Na:17].[Na:18].[Na:19] |
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