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

Systemtic Name: tris[1-[2-azido-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl] phosphate Openeye Name: tris[1-[2-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-2,4-dioxo-hexahydropyrimidin-5-yl] phosphate CAS Name: phosphoric acid tris[1-[2-azido-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-2,4-dioxo-1,3-diazinan-5-yl] ester IUPAC Name: tris[1-[2-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,4-dioxo-1,3-diazinan-5-yl] phosphate Traditional Name: phosphoric acid tris[1-(2-azido-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)NC1=O)C2(CC(C(O2)CO)O)N=[N+]=[N-])OP(=O)(OC3(CN(C(=O)NC3=O)C4(CC(C(O4)CO)O)N=[N+]=[N-])C)OC5(CN(C(=O)NC5=O)C6(CC(C(O6)CO)O)N=[N+]=[N-])C

Isomeric SMILES

CC1(CN(C(=O)NC1=O)C2(CC(C(O2)CO)O)N=[N+]=[N-])OP(=O)(OC3(CN(C(=O)NC3=O)C4(CC(C(O4)CO)O)N=[N+]=[N-])C)OC5(CN(C(=O)NC5=O)C6(CC(C(O6)CO)O)N=[N+]=[N-])C

InChI

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