[(3S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]-3-oxidanylidene-1,2,3$l^{5}-dioxaphosphiran-1-ium-1-yl]-[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentoxy]phosphinic acid

Systemtic Name: [(3S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]-3-oxidanylidene-1,2,3$l^{5}-dioxaphosphiran-1-ium-1-yl]-[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentoxy]phosphinic acid Openeye Name: [(3S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3-oxo-1,2,3$l^{5}-dioxaphosphiran-1-ium-1-yl]-[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentoxy]phosphinic acid CAS Name: [(3S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy]-3-oxo-1,2,3$l^{5}-dioxaphosphiran-1-ium-1-yl]-[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentoxy]phosphinic acid IUPAC Name: [(3S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-oxo-1,2,3$l^{5}-dioxaphosphiran-1-ium-1-yl]-[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentoxy]phosphinic acid Traditional Name: [(3S)-3-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3-keto-1,2,3$l^{5}-dioxaphosphiran-1-ium-1-yl]-[(2R,3S,4S)-5-(2,4-diketo-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentoxy]phosphinic acid Formula: C27H33N9O15P2+2 MolecularWeight: 785.549742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=C3C(=N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)[O+]4OP4(=O)OCC5C(C(C(O5)N6C=NC7=C6N=CN=C7N)O)O)O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=C3C(=N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)[O+]4O[P@]4(=O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=CN=C7N)O)O)O)O)O

InChI

InChI=1S/C27H31N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-47-52(44,45)51-50-53(51,46)48-7-16-20(40)21(41)26(49-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H3-,28,29,30,34,42,43,44,45)/p+2/t14-,15+,16+,19-,20+,21+,26+,53-/m0/s1