[(2R,3R,4S,5R)-5-azido-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-4-(2-ethylbutanoyloxy)oxolan-3-yl] 2-ethylbutanoate

Systemtic Name: [(2R,3R,4S,5R)-5-azido-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-4-(2-ethylbutanoyloxy)oxolan-3-yl] 2-ethylbutanoate Openeye Name: [(2R,3R,4S,5R)-5-azido-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-(2-ethylbutanoyloxy)tetrahydrofuran-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [(2R,3R,4S,5R)-5-azido-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl]oxymethyl]-2-(2,4-dioxo-1-pyrimidinyl)-4-(2-ethyl-1-oxobutoxy)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S,5R)-5-azido-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-(2-ethylbutanoyloxy)oxolan-3-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [(2R,3R,4S,5R)-5-azido-5-[[(4S)-4-(3-chlorophenyl)-2-keto-1,3,2$l^{5}-dioxaphosphorinan-2-yl]oxymethyl]-2-(2,4-diketopyrimidin-1-yl)-4-(2-ethylbutanoyloxy)tetrahydrofuran-3-yl] ester Formula: C30H39ClN5O11P MolecularWeight: 712.084321

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1C(C(OC1N2C=CC(=O)NC2=O)(COP3(=O)OCCC(O3)C4=CC(=CC=C4)Cl)N=[N+]=[N-])OC(=O)C(CC)CC

Isomeric SMILES

CCC(CC)C(=O)O[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COP3(=O)OCC[C@H](O3)C4=CC(=CC=C4)Cl)N=[N+]=[N-])OC(=O)C(CC)CC

InChI

InChI=1S/C30H39ClN5O11P/c1-5-18(6-2)27(38)44-24-25(45-28(39)19(7-3)8-4)30(34-35-32,46-26(24)36-14-12-23(37)33-29(36)40)17-43-48(41)42-15-13-22(47-48)20-10-9-11-21(31)16-20/h9-12,14,16,18-19,22,24-26H,5-8,13,15,17H2,1-4H3,(H,33,37,40)/t22-,24+,25-,26+,30+,48?/m0/s1