[9-[3,4-dihydroxy-5-[(hydroxy-oxido-oxoniumylidene-phosphoranyl)oxymethyl]oxolan-2-yl]-3,7-dihydropurin-6-ylidene]oxidanium; 9-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]-3,7-dihydropurin-6-one; titanium
Molecular Formula:
C30H42N12O24P3Ti+3
InChI: InChI=1/3C10H13N4O8P.Ti/c3*15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;/h3*2-4,6-7,10,15-16H,1H2,(H3,11,12,17,18,19,20);/p+3/f2C10H15N4O8P.C10H12N4O8P.Ti/h2*11,13,17-19H;11,13H;/q2*+2;-1;
InChIKey: InChIKey=JJNOHLJITLIGAE-YNELZDKDCU
SMILES: C1=NC(=[OH+])C2=C(N1)[N+](=CN2)C3C(C(C(O3)COP(=[OH+])(O)[O-])O)O.C1=NC(=[OH+])C2=C(N1)[N+](=CN2)C3C(C(C(O3)COP(=[OH+])(O)[O-])O)O.C1=NC(=O)C2=C(N1)[N+](=CN2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Ti]
Names:
[9-[3,4-dihydroxy-5-[(hydroxy-oxido-oxoniumylidene-phosphoranyl)oxymethyl]oxolan-2-yl]-3,7-dihydropurin-6-ylidene]oxidanium; 9-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]-3,7-dihydropurin-6-one; titanium
Registries:
PubChem CID 3552456
PubChem ID 4803488
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