methyl 2-[[[(4R,5R)-5-(6-aminopurin-9-yl)-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]oxy-(4-chloranylphenoxy)phosphoryl]amino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[[(4R,5R)-5-(6-aminopurin-9-yl)-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]oxy-(4-chloranylphenoxy)phosphoryl]amino]-2-methyl-propanoate Openeye Name: methyl 2-[[[(4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]oxy-(4-chlorophenoxy)phosphoryl]amino]-2-methyl-propanoate CAS Name: 2-[[[(4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-methyl-2-oxolanyl]oxy-(4-chlorophenoxy)phosphoryl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[[(4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]oxy-(4-chlorophenoxy)phosphoryl]amino]-2-methylpropanoate Traditional Name: 2-[[[(4R,5R)-5-adenin-9-yl-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]oxy-(4-chlorophenoxy)phosphoryl]amino]-2-methyl-propionic acid methyl ester Formula: C21H26ClN6O8P MolecularWeight: 556.893301

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(OC1N2C=NC3=C2N=CN=C3N)OP(=O)(NC(C)(C)C(=O)OC)OC4=CC=C(C=C4)Cl)O)O

Isomeric SMILES

C[C@@]1([C@@H](OC(C1O)OP(=O)(NC(C)(C)C(=O)OC)OC2=CC=C(C=C2)Cl)N3C=NC4=C3N=CN=C4N)O

InChI

InChI=1S/C21H26ClN6O8P/c1-20(2,19(30)33-4)27-37(32,35-12-7-5-11(22)6-8-12)36-17-14(29)21(3,31)18(34-17)28-10-26-13-15(23)24-9-25-16(13)28/h5-10,14,17-18,29,31H,1-4H3,(H,27,32)(H2,23,24,25)/t14?,17?,18-,21-,37?/m1/s1