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

Systemtic Name: [(E)-4-[[9-[(2R,3R,4S,5R)-5-[[methoxy(oxidanyl)phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]-2-methyl-but-2-enyl] methyl hydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-4-[hydroxy(methoxy)phosphoryl]oxy-3-methyl-but-2-enyl]amino]purin-9-yl]tetrahydrofuran-2-yl]methyl methyl hydrogen phosphate CAS Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-4-[hydroxy(methoxy)phosphoryl]oxy-3-methylbut-2-enyl]amino]-9-purinyl]-2-oxolanyl]methyl methyl hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-4-[hydroxy(methoxy)phosphoryl]oxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methyl methyl hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-4-[hydroxy(methoxy)phosphoryl]oxy-3-methyl-but-2-enyl]amino]purin-9-yl]tetrahydrofuran-2-yl]methyl methyl hydrogen phosphate Formula: C17H27N5O11P2 MolecularWeight: 539.370702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O11P2/c1-10(6-31-34(25,26)29-2)4-5-18-15-12-16(20-8-19-15)22(9-21-12)17-14(24)13(23)11(33-17)7-32-35(27,28)30-3/h4,8-9,11,13-14,17,23-24H,5-7H2,1-3H3,(H,25,26)(H,27,28)(H,18,19,20)/b10-4+/t11-,13-,14-,17-/m1/s1