methyl (2R,4R,5R,6R)-5-[bis(2-cyanoethoxy)phosphoryloxy]-6-[(4R)-2-oxidanylidene-1,3-dioxolan-4-yl]-2-prop-2-enoxy-4-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S)-1,2-diacetyloxyethyl]oxan-2-yl]oxy-oxane-2-carboxylate

Systemtic Name: methyl (2R,4R,5R,6R)-5-[bis(2-cyanoethoxy)phosphoryloxy]-6-[(4R)-2-oxidanylidene-1,3-dioxolan-4-yl]-2-prop-2-enoxy-4-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S)-1,2-diacetyloxyethyl]oxan-2-yl]oxy-oxane-2-carboxylate Openeye Name: methyl (2R,4R,5R,6R)-2-allyloxy-5-[bis(2-cyanoethoxy)phosphoryloxy]-6-[(4R)-2-oxo-1,3-dioxolan-4-yl]-4-[(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[(1S)-1,2-diacetoxyethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylate CAS Name: (2R,4R,5R,6R)-5-[bis(2-cyanoethoxy)phosphoryloxy]-6-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxy-4-[[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S)-1,2-diacetyloxyethyl]-2-oxanyl]oxy]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R,5R,6R)-5-[bis(2-cyanoethoxy)phosphoryloxy]-6-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxy-4-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S)-1,2-diacetyloxyethyl]oxan-2-yl]oxyoxane-2-carboxylate Traditional Name: (2R,4R,5R,6R)-2-allyloxy-5-[bis(2-cyanoethoxy)phosphoryloxy]-6-[(4R)-2-keto-1,3-dioxolan-4-yl]-4-[(2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[(1S)-1,2-diacetoxyethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C36H47N2O23P MolecularWeight: 906.731741

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1C(C(C(C(O1)OC2CC(OC(C2OP(=O)(OCCC#N)OCCC#N)C3COC(=O)O3)(C(=O)OC)OCC=C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2C[C@@](O[C@@H]([C@@H]2OP(=O)(OCCC#N)OCCC#N)[C@H]3COC(=O)O3)(C(=O)OC)OCC=C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C36H47N2O23P/c1-8-13-50-36(34(44)47-7)16-24(29(28(60-36)26-18-49-35(45)58-26)61-62(46,51-14-9-11-37)52-15-10-12-38)57-33-32(56-23(6)43)31(55-22(5)42)30(54-21(4)41)27(59-33)25(53-20(3)40)17-48-19(2)39/h8,24-33H,1,9-10,13-18H2,2-7H3/t24-,25+,26-,27-,28-,29-,30-,31+,32+,33+,36-/m1/s1