6-(hydroxymethyl)-4-[[2,4,4,6,6-pentakis[[2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl]oxy]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]oxane-2,3,5-triol

Systemtic Name: 6-(hydroxymethyl)-4-[[2,4,4,6,6-pentakis[[2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl]oxy]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]oxane-2,3,5-triol Openeye Name: 6-(hydroxymethyl)-4-[[2,4,4,6,6-pentakis[[2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]tetrahydropyran-2,3,5-triol CAS Name: 6-(hydroxymethyl)-4-[[2,4,4,6,6-pentakis[[2,3,5-trihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]oxane-2,3,5-triol IUPAC Name: 6-(hydroxymethyl)-4-[[2,4,4,6,6-pentakis[[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]oxane-2,3,5-triol Traditional Name: 6-methylol-4-[[2,4,4,6,6-pentakis[(2,3,5-trihydroxy-6-methylol-tetrahydropyran-4-yl)oxy]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]tetrahydropyran-2,3,5-triol Formula: C36H66N3O36P3 MolecularWeight: 1209.829023

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)O)O)OP2(=NP(=NP(=N2)(OC3C(C(OC(C3O)O)CO)O)OC4C(C(OC(C4O)O)CO)O)(OC5C(C(OC(C5O)O)CO)O)OC6C(C(OC(C6O)O)CO)O)OC7C(C(OC(C7O)O)CO)O)O)O

Isomeric SMILES

C(C1C(C(C(C(O1)O)O)OP2(=NP(=NP(=N2)(OC3C(C(OC(C3O)O)CO)O)OC4C(C(OC(C4O)O)CO)O)(OC5C(C(OC(C5O)O)CO)O)OC6C(C(OC(C6O)O)CO)O)OC7C(C(OC(C7O)O)CO)O)O)O

InChI

InChI=1S/C36H66N3O36P3/c40-1-7-13(46)25(19(52)31(58)64-7)70-76(71-26-14(47)8(2-41)65-32(59)20(26)53)37-77(72-27-15(48)9(3-42)66-33(60)21(27)54,73-28-16(49)10(4-43)67-34(61)22(28)55)39-78(38-76,74-29-17(50)11(5-44)68-35(62)23(29)56)75-30-18(51)12(6-45)69-36(63)24(30)57/h7-36,40-63H,1-6H2