[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]oxy-5-(3-phenylpropyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]oxy-5-(3-phenylpropyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxy-5-(3-phenylpropyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-2-oxanyl]oxy]-5-(3-phenylpropyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxy-5-(3-phenylpropyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [(2R,3R,4R,5R)-2-adenin-9-yl-4-[(2R,3R,4R,5R,6R)-3-hydroxy-6-methylol-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxy-5-(3-phenylpropyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C24H34N5O17P3 MolecularWeight: 757.471343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)OP(=O)(O)O)OC5C(C(C(C(O5)CO)OP(=O)(O)O)OP(=O)(O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)OP(=O)(O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)OP(=O)(O)O)OP(=O)(O)O)O

InChI

InChI=1S/C24H34N5O17P3/c25-21-15-22(27-10-26-21)29(11-28-15)23-20(46-49(38,39)40)17(13(41-23)8-4-7-12-5-2-1-3-6-12)43-24-16(31)19(45-48(35,36)37)18(14(9-30)42-24)44-47(32,33)34/h1-3,5-6,10-11,13-14,16-20,23-24,30-31H,4,7-9H2,(H2,25,26,27)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)/t13-,14-,16-,17-,18-,19-,20-,23-,24-/m1/s1