[4-azanyl-7-[(2R,3R,4R,5R)-3-methyl-3,4-bis(oxidanyl)-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]boronic acid

Systemtic Name: [4-azanyl-7-[(2R,3R,4R,5R)-3-methyl-3,4-bis(oxidanyl)-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]boronic acid Openeye Name: [4-amino-7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]-3-methyl-tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]boronic acid CAS Name: [4-amino-7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-methyl-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinyl]boronic acid IUPAC Name: [4-amino-7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]boronic acid Traditional Name: [4-amino-7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]-3-methyl-tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]boronic acid Formula: C12H20BN4O15P3 MolecularWeight: 564.037283

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CN(C2=C1C(=NC=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(C)O)(O)O

Isomeric SMILES

B(C1=CN(C2=C1C(=NC=N2)N)[C@H]3[C@]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(C)O)(O)O

InChI

InChI=1S/C12H20BN4O15P3/c1-12(19)8(18)6(3-29-34(25,26)32-35(27,28)31-33(22,23)24)30-11(12)17-2-5(13(20)21)7-9(14)15-4-16-10(7)17/h2,4,6,8,11,18-21H,3H2,1H3,(H,25,26)(H,27,28)(H2,14,15,16)(H2,22,23,24)/t6-,8-,11-,12-/m1/s1