{
"ark": "ark:/c7614/q4sn0207c",
"cas": null,
"chemspider_id": 21240458,
"doi": "10.17614/Q4SN0207C",
"elements": [
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"C",
"W",
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"exact mass": 737.01505383,
"formula": "C10H19N5O10W2",
"inchi": "InChI=1S/C10H12N5O4.3H2O.3O.2W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;;;;;/h2-4,6-7,10,17-18H,1,11H2;3*1H2;;;;;/q-1;;;;;;;2*+2/p-3/t4-,6-,7-,10-;;;;;;;;/m1......../s1\n",
"inchikey": "OIACDJFRUAAXOT-FXLVZJRTSA-L",
"iupac_name": "(2R,3R,4R,5S)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[(2,3,3-trihydroxy-2,3-dioxido-1-oxa-2λ5,3λ5-ditungstacycloprop-2-yl)oxymethyl]tetrahydrofuran-3,4-diol",
"molecular mass": 736.9654,
"name": "[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(dihydroxy-oxo-tungstenio)oxy-hydroxy-oxo-tungsten",
"pm7": {
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"dipole": [
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"dipoleMoment": 7.242,
"heatOfFormation": -1981.93563,
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"polarizability": 42.828661,
"rotational": [
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"surfaceArea": 370.96,
"volume": 444.83
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"pointGroup": "C1",
"pubchem_cid": "",
"shortdoi": "10/f3d5xd",
"smiles": "O[C@H]1[C@H](CO[W]2(O)(O)O[W]2(O)(O)O)O[C@H]([C@@H]1O)N1C=[N]=C2C1=[N]=[CH]=[N]=C2N",
"synonyms": "",
"tags": [
"hydrophilic",
"imino",
"alkyl",
"aromatic",
"base",
"donor",
"ring",
"ether"
],
"wiki": ""
}