[5-[2,4-bis[bis(azanyl)methylideneamino]-3,5,6-tris(oxidanyl)cyclohexyl]oxy-3-(hydroxymethyl)-4-[6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-[2,4-bis[bis(azanyl)methylideneamino]-3,5,6-tris(oxidanyl)cyclohexyl]oxy-3-(hydroxymethyl)-4-[6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(2,4-diguanidino-3,5,6-trihydroxy-cyclohexoxy)-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-3-(hydroxymethyl)-2-methyl-tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)-2-oxanyl]oxy]-3-(hydroxymethyl)-2-methyl-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-3-(hydroxymethyl)-2-methyloxolan-3-yl] dihydrogen phosphate Traditional Name: [5-(2,4-diguanidino-3,5,6-trihydroxy-cyclohexoxy)-4-[4,5-dihydroxy-3-(methylamino)-6-methylol-tetrahydropyran-2-yl]oxy-2-methyl-3-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C21H42N7O15P MolecularWeight: 663.569841

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(CO)OP(=O)(O)O

Isomeric SMILES

CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(CO)OP(=O)(O)O

InChI

InChI=1S/C21H42N7O15P/c1-5-21(4-30,43-44(36,37)38)16(42-17-9(26-2)13(34)10(31)6(3-29)40-17)18(39-5)41-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)