azane; [[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-phosphonooxy-phosphoryl]boron

Systemtic Name: azane; [[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-phosphonooxy-phosphoryl]boron Openeye Name: ammonia; [[(2R,3R,4R,5R)-3,4-diacetoxy-5-(2-amino-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-phosphonooxy-phosphoryl]boron CAS Name: ammonia; [[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)-2-oxolanyl]methoxy-phosphonooxyphosphoryl]boron IUPAC Name: azane; [[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-phosphonooxyphosphoryl]boron Traditional Name: ammonia; [[(2R,3R,4R,5R)-3,4-diacetoxy-5-(2-amino-6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-phosphonooxy-phosphoryl]boron Formula: C14H21BN6O12P2 MolecularWeight: 538.108062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B]P(=O)(OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)C)OC(=O)C)OP(=O)(O)O.N

Isomeric SMILES

[B]P(=O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)C)OC(=O)C)OP(=O)(O)O.N

InChI

InChI=1S/C14H18BN5O12P2.H3N/c1-5(21)29-9-7(3-28-33(15,24)32-34(25,26)27)31-13(10(9)30-6(2)22)20-4-17-8-11(20)18-14(16)19-12(8)23;/h4,7,9-10,13H,3H2,1-2H3,(H2,25,26,27)(H3,16,18,19,23);1H3/t7-,9-,10-,13-,33?;/m1./s1