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[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4,4-tris(oxidanyl)oxolan-2-yl]methoxy-[[(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]-oxidanyl-phosphoryl]oxy-oxidanylidene-phosphanium

[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4,4-tris(oxidanyl)oxolan-2-yl]methoxy-[[(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]-oxidanyl-phosphoryl]oxy-oxidanylidene-phosphanium

Systemtic Name:[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4,4-tris(oxidanyl)oxolan-2-yl]methoxy-[[(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]-oxidanyl-phosphoryl]oxy-oxidanylidene-phosphanium
Openeye Name:[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4,4-trihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl]oxy-oxo-phosphonium
CAS Name:[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4,4-trihydroxy-2-oxolanyl]methoxy-[[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxy-oxophosphonium
IUPAC Name:[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4,4-trihydroxyoxolan-2-yl]methoxy-[[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxy-oxophosphanium
Traditional Name:[(2R,3R,5R)-5-adenin-9-yl-3,4,4-trihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3S,4S)-5-(2,4-diketo-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl]oxy-keto-phosphonium
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[P+](=O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)(O)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[P+](=O)OC[C@@H]4[C@H](C([C@@H](O4)N5C=NC6=C5N=CN=C6N)(O)O)O)O)O)O


InChI

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


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