[(3aR,4R,6R,6aR)-2-methoxy-4-[6-[[(E)-3-methyl-4-phosphonooxy-but-2-enyl]amino]purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate

Systemtic Name: [(3aR,4R,6R,6aR)-2-methoxy-4-[6-[[(E)-3-methyl-4-phosphonooxy-but-2-enyl]amino]purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate Openeye Name: [(3aR,4R,6R,6aR)-2-methoxy-4-[6-[[(E)-3-methyl-4-phosphonooxy-but-2-enyl]amino]purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate CAS Name: [(3aR,4R,6R,6aR)-2-methoxy-4-[6-[[(E)-3-methyl-4-phosphonooxybut-2-enyl]amino]-9-purinyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate IUPAC Name: [(3aR,4R,6R,6aR)-2-methoxy-4-[6-[[(E)-3-methyl-4-phosphonooxybut-2-enyl]amino]purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate Traditional Name: [(3aR,4R,6R,6aR)-2-methoxy-4-[6-[[(E)-3-methyl-4-phosphonooxy-but-2-enyl]amino]purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate Formula: C17H25N5O12P2 MolecularWeight: 553.354222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1N=CN2C3C4C(C(O3)COP(=O)(O)O)OC(O4)OC)COP(=O)(O)O

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1N=CN2[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OC(O4)OC)/COP(=O)(O)O

InChI

InChI=1S/C17H25N5O12P2/c1-9(5-30-35(23,24)25)3-4-18-14-11-15(20-7-19-14)22(8-21-11)16-13-12(33-17(29-2)34-13)10(32-16)6-31-36(26,27)28/h3,7-8,10,12-13,16-17H,4-6H2,1-2H3,(H,18,19,20)(H2,23,24,25)(H2,26,27,28)/b9-3+/t10-,12-,13-,16-,17?/m1/s1