[(E)-4-[[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methyl-but-2-enyl] dihydrogen phosphate

Systemtic Name: [(E)-4-[[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methyl-but-2-enyl] dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-3-methyl-4-phosphonooxy-but-2-enyl]amino]purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-3-methyl-4-phosphonooxybut-2-enyl]amino]-9-purinyl]-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-3-methyl-4-phosphonooxybut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-3-methyl-4-phosphonooxy-but-2-enyl]amino]purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C15H23N5O11P2 MolecularWeight: 511.317542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O)COP(=O)(O)O

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)/COP(=O)(O)O

InChI

InChI=1S/C15H23N5O11P2/c1-8(4-29-32(23,24)25)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(31-15)5-30-33(26,27)28/h2,6-7,9,11-12,15,21-22H,3-5H2,1H3,(H,16,17,18)(H2,23,24,25)(H2,26,27,28)/b8-2+/t9-,11-,12-,15-/m1/s1