[3-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-2-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-propyl] dihydrogen phosphate

Systemtic Name: [3-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxy-2-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-propyl] dihydrogen phosphate Openeye Name: [3-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propyl] dihydrogen phosphate CAS Name: [3-[[(2R,3R,4R,5R,6R)-3-acetamido-4-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propyl] dihydrogen phosphate IUPAC Name: [3-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] dihydrogen phosphate Traditional Name: [3-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-propyl] dihydrogen phosphate Formula: C27H48N3O21P MolecularWeight: 781.651281

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)CO)OCC(COP(=O)(O)O)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)NC(=O)C)CO)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)OCC(COP(=O)(O)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)NC(=O)C)CO)O)O

InChI

InChI=1S/C27H48N3O21P/c1-9(34)28-16-22(40)19(37)13(4-31)49-26(16)47-12(8-46-52(42,43)44)7-45-25-18(30-11(3)36)24(21(39)15(6-33)48-25)51-27-17(29-10(2)35)23(41)20(38)14(5-32)50-27/h12-27,31-33,37-41H,4-8H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)(H2,42,43,44)/t12?,13-,14-,15-,16-,17-,18-,19+,20-,21+,22-,23-,24-,25-,26+,27-/m1/s1