(2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

C168H279N13O69 — CID 159396856

About (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

(2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 159396856) has the molecular formula C168H279N13O69 and a molecular weight of 3585.10 g/mol. Its IUPAC name is (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

• Compound Name: (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
• PubChem CID: 159396856
• Molecular Formula: C168H279N13O69
• Molecular Weight: 3585.10 g/mol
• Exact Mass: 3582.87
• IUPAC Name: (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
• SMILES: C/C(=N\[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1C)NC(=O)OC(C)(C)C.COC(=O)C1=C[C@@H]2OC(C)=N[C@H]2[C@H]([C@H](C)[C@H](C)COC(C)=O)O1.COC(=O)C1=C[C@H](/N=C(\C)NC(=O)OC(C)(C)C)[C@@H](C)[C@H]([C@H](C)[C@H](C)COC(C)=O)O1.COC(=O)C1=C[C@H](N)[C@@H](C)[C@H]([C@H](C)[C@H](C)COC(C)=O)O1.COC(=O)C1=C[C@H](N=[N+]=[N-])[C@@H](C)[C@H]([C@H](C)[C@H](C)COC(C)=O)O1.COC(=O)[C@]1(O)C[C@H](O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O1.COC(=O)[C@]1(OC(C)=O)C[C@H](C)[C@@H](C)[C@H]([C@H](C)[C@H](C)COC(C)=O)O1.COCOC[C@@H](C)[C@@H](C)[C@@H]1OC(C(=O)O)=C[C@H](/N=C(\C)NC(=O)OC(C)(C)C)[C@H]1C.COCOC[C@@H](C)[C@@H](C)[C@@H]1OC(C(=O)OCOC)=C[C@H](/N=C(\C)NC(=O)OC(C)(C)C)[C@H]1C.C[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@@H]1O
• InChI: InChI=1S/C23H40N2O8.C22H36N2O7.C21H36N2O7.C18H30O7.C17H28N2O8.C16H23NO6.C15H23N3O5.C15H25NO5.C11H20O8.C10H18O8/c1-14(11-30-12-28-8)15(2)20-16(3)18(10-19(32-20)21(26)31-13-29-9)24-17(4)25-22(27)33-23(5,6)7;1-12(11-29-16(5)25)13(2)19-14(3)17(10-18(30-19)20(26)28-9)23-15(4)24-21(27)31-22(6,7)8;1-12(10-28-11-27-8)13(2)18-14(3)16(9-17(29-18)19(24)25)22-15(4)23-20(26)30-21(5,6)7;1-10-8-18(17(21)22-7,24-15(6)20)25-16(12(10)3)13(4)11(2)9-23-14(5)19;1-8-10(18-9(2)19-16(25)27-17(3,4)5)6-12(15(23)24)26-14(8)13(22)11(21)7-20;1-8(7-21-11(4)18)9(2)15-14-12(22-10(3)17-14)6-13(23-15)16(19)20-5;1-8(7-22-11(4)19)9(2)14-10(3)12(17-18-16)6-13(23-14)15(20)21-5;1-8(7-20-11(4)17)9(2)14-10(3)12(16)6-13(21-14)15(18)19-5;1-5-6(13)3-11(17,10(16)18-2)19-9(5)8(15)7(14)4-12;1-4-5(12)2-10(17,9(15)16)18-8(4)7(14)6(13)3-11/h10,14-16,18,20H,11-13H2,1-9H3,(H,24,25,27);10,12-14,17,19H,11H2,1-9H3,(H,23,24,27);9,12-14,16,18H,10-11H2,1-8H3,(H,24,25)(H,22,23,26);10-13,16H,8-9H2,1-7H3;6,8,10-11,13-14,20-22H,7H2,1-5H3,(H,23,24)(H,18,19,25);6,8-9,12,14-15H,7H2,1-5H3;6,8-10,12,14H,7H2,1-5H3;6,8-10,12,14H,7,16H2,1-5H3;5-9,12-15,17H,3-4H2,1-2H3;4-8,11-14,17H,2-3H2,1H3,(H,15,16)/t14-,15-,16-,18+,20+;12-,13-,14-,17+,19+;12-,13-,14-,16+,18+;10-,11+,12+,13+,16+,18-;8-,10+,11-,13-,14-;8-,9-,12+,14-,15+;2*8-,9-,10-,12+,14+;5-,6+,7-,8-,9-,11+;4-,5+,6-,7-,8-,10+/m1110111111/s1
• InChIKey: LMVIKQGHVWJBIR-UPYMLOPFSA-N
• XLogP: 11.91
• TPSA: 1154.37 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 73
• Rotatable Bonds: 59
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3585.10
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	73

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid?

The IUPAC name of (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 159396856) is (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid.

What is the SMILES notation for (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid?

The canonical SMILES for (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid is C/C(=N\[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1C)NC(=O)OC(C)(C)C.COC(=O)C1=C[C@@H]2OC(C)=N[C@H]2[C@H]([C@H](C)[C@H](C)COC(C)=O)O1.COC(=O)C1=C[C@H](/N=C(\C)NC(=O)OC(C)(C)C)[C@@H](C)[C@H]([C@H](C)[C@H](C)COC(C)=O)O1.COC(=O)C1=C[C@H](N)[C@@H](C)[C@H]([C@H](C)[C@H](C)COC(C)=O)O1.COC(=O)C1=C[C@H](N=[N+]=[N-])[C@@H](C)[C@H]([C@H](C)[C@H](C)COC(C)=O)O1.COC(=O)[C@]1(O)C[C@H](O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O1.COC(=O)[C@]1(OC(C)=O)C[C@H](C)[C@@H](C)[C@H]([C@H](C)[C@H](C)COC(C)=O)O1.COCOC[C@@H](C)[C@@H](C)[C@@H]1OC(C(=O)O)=C[C@H](/N=C(\C)NC(=O)OC(C)(C)C)[C@H]1C.COCOC[C@@H](C)[C@@H](C)[C@@H]1OC(C(=O)OCOC)=C[C@H](/N=C(\C)NC(=O)OC(C)(C)C)[C@H]1C.C[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@@H]1O.

What is the InChIKey of (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid?

The InChIKey is LMVIKQGHVWJBIR-UPYMLOPFSA-N. The full InChI is InChI=1S/C23H40N2O8.C22H36N2O7.C21H36N2O7.C18H30O7.C17H28N2O8.C16H23NO6.C15H23N3O5.C15H25NO5.C11H20O8.C10H18O8/c1-14(11-30-12-28-8)15(2)20-16(3)18(10-19(32-20)21(26)31-13-29-9)24-17(4)25-22(27)33-23(5,6)7;1-12(11-29-16(5)25)13(2)19-14(3)17(10-18(30-19)20(26)28-9)23-15(4)24-21(27)31-22(6,7)8;1-12(10-28-11-27-8)13(2)18-14(3)16(9-17(29-18)19(24)25)22-15(4)23-20(26)30-21(5,6)7;1-10-8-18(17(21)22-7,24-15(6)20)25-16(12(10)3)13(4)11(2)9-23-14(5)19;1-8-10(18-9(2)19-16(25)27-17(3,4)5)6-12(15(23)24)26-14(8)13(22)11(21)7-20;1-8(7-21-11(4)18)9(2)15-14-12(22-10(3)17-14)6-13(23-15)16(19)20-5;1-8(7-22-11(4)19)9(2)14-10(3)12(17-18-16)6-13(23-14)15(20)21-5;1-8(7-20-11(4)17)9(2)14-10(3)12(16)6-13(21-14)15(18)19-5;1-5-6(13)3-11(17,10(16)18-2)19-9(5)8(15)7(14)4-12;1-4-5(12)2-10(17,9(15)16)18-8(4)7(14)6(13)3-11/h10,14-16,18,20H,11-13H2,1-9H3,(H,24,25,27);10,12-14,17,19H,11H2,1-9H3,(H,23,24,27);9,12-14,16,18H,10-11H2,1-8H3,(H,24,25)(H,22,23,26);10-13,16H,8-9H2,1-7H3;6,8,10-11,13-14,20-22H,7H2,1-5H3,(H,23,24)(H,18,19,25);6,8-9,12,14-15H,7H2,1-5H3;6,8-10,12,14H,7H2,1-5H3;6,8-10,12,14H,7,16H2,1-5H3;5-9,12-15,17H,3-4H2,1-2H3;4-8,11-14,17H,2-3H2,1H3,(H,15,16)/t14-,15-,16-,18+,20+;12-,13-,14-,17+,19+;12-,13-,14-,16+,18+;10-,11+,12+,13+,16+,18-;8-,10+,11-,13-,14-;8-,9-,12+,14-,15+;2*8-,9-,10-,12+,14+;5-,6+,7-,8-,9-,11+;4-,5+,6-,7-,8-,10+/m1110111111/s1.

What are the key properties of (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid?

(2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 3585.10 g/mol, XLogP of 11.91, 59 rotatable bonds, 21 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid;methoxymethyl (2S,3R,4R)-2-[(2R,3S)-4-(methoxymethoxy)-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (3aS,4S,7aS)-4-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-2-methyl-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate;methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-amino-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4-azido-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,3R,4R)-2-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-6-carboxylate;methyl (2S,4S,5R,6R)-2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate;(2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 159396856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).