{
"ark": "ark:/c7614/q4hd7pp05",
"cas": null,
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"doi": "10.17614/Q4HD7PP05",
"elements": [
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"formula": "C10H19N5O11PV",
"inchi": "InChI=1S/C10H14N5O7P.4H2O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;;;;/h2-4,6-7,10,16-18,23H,1,11H2;4*1H2;/q-2;;;;;+6/p-4/t4-,6-,7-,10-;;;;;/m1...../s1\n",
"inchikey": "OHCLACDAVOIPNN-AZGWGOJFSA-J",
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"molecular mass": 467.2,
"name": "(2R,3R,4S,5R)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[(2,4,4,4,4-pentahydroxy-1,3-dioxa-2-phosphonia-4λ6-vanadacyclobut-2-yl)oxymethyl]tetrahydrofuran-3,4-diol",
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"heatOfFormation": -2662.68285,
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"rotational": [
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"surfaceArea": 375.96,
"volume": 436.03
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"pointGroup": "C1",
"pubchem_cid": "",
"shortdoi": "10/f3d5vg",
"smiles": "O[C@@H]1[C@@H](COP2(O)O[V](O2)(O)(O)(O)O)O[C@H]([C@@H]1O)N1C=[N]=C2C1=[N]=[CH]=[N]=C2N",
"synonyms": "",
"tags": [
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],
"wiki": ""
}