(3S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-azanyl-butanoic acid

Systemtic Name: (3S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-azanyl-butanoic acid Openeye Name: (3S)-3-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-butanoic acid CAS Name: (3S)-3-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxybutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxybutanoic acid Traditional Name: (3S)-4-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-amino-butyric acid Formula: C14H21N6O9P MolecularWeight: 448.325101

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OCC(CC(=O)O)N)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC[C@H](CC(=O)O)N)O)O

InChI

InChI=1S/C14H21N6O9P/c15-6(1-8(21)22)2-27-30(25,26)28-3-7-10(23)11(24)14(29-7)20-5-19-9-12(16)17-4-18-13(9)20/h4-7,10-11,14,23-24H,1-3,15H2,(H,21,22)(H,25,26)(H2,16,17,18)/t6-,7+,10+,11+,14+/m0/s1