tris[3-azido-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl] phosphate

Systemtic Name: tris[3-azido-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl] phosphate Openeye Name: tris[3-azido-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-2,4-dioxo-hexahydropyrimidin-5-yl] phosphate CAS Name: phosphoric acid tris[3-azido-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-2,4-dioxo-1,3-diazinan-5-yl] ester IUPAC Name: tris[3-azido-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,4-dioxo-1,3-diazinan-5-yl] phosphate Traditional Name: phosphoric acid tris[3-azido-1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-2,4-diketo-5-methyl-hexahydropyrimidin-5-yl] ester Formula: C30H42N15O19P MolecularWeight: 947.717341

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)N(C1=O)N=[N+]=[N-])C2CC(C(O2)CO)O)OP(=O)(OC3(CN(C(=O)N(C3=O)N=[N+]=[N-])C4CC(C(O4)CO)O)C)OC5(CN(C(=O)N(C5=O)N=[N+]=[N-])C6CC(C(O6)CO)O)C

Isomeric SMILES

CC1(CN(C(=O)N(C1=O)N=[N+]=[N-])C2CC(C(O2)CO)O)OP(=O)(OC3(CN(C(=O)N(C3=O)N=[N+]=[N-])C4CC(C(O4)CO)O)C)OC5(CN(C(=O)N(C5=O)N=[N+]=[N-])C6CC(C(O6)CO)O)C

InChI

InChI=1S/C30H42N15O19P/c1-28(10-40(19-4-13(49)16(7-46)59-19)25(55)43(22(28)52)37-34-31)62-65(58,63-29(2)11-41(20-5-14(50)17(8-47)60-20)26(56)44(23(29)53)38-35-32)64-30(3)12-42(21-6-15(51)18(9-48)61-21)27(57)45(24(30)54)39-36-33/h13-21,46-51H,4-12H2,1-3H3