N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide

C43H63FN6O12 — CID 89142482

About N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide

N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide (PubChem CID 89142482) has the molecular formula C43H63FN6O12 and a molecular weight of 875.00 g/mol. Its IUPAC name is N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide.

Molecular Properties

• Compound Name: N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide
• PubChem CID: 89142482
• Molecular Formula: C43H63FN6O12
• Molecular Weight: 875.00 g/mol
• Exact Mass: 874.45
• IUPAC Name: N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide
• SMILES: CCC(=O)/N=C1/C[C@H]2OC/C(=N\OCc3coc(-c4cccc(N)n4)n3)CO[C@](C)(C[C@H]1C)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CC)[C@@]2(C)O
• InChI: InChI=1S/C43H63FN6O12/c1-11-31-43(8,55)32-17-29(48-34(51)12-2)23(3)18-41(6,58-21-27(20-56-32)49-59-22-26-19-57-38(46-26)28-14-13-15-33(45)47-28)37(25(5)36(53)42(7,44)40(54)61-31)62-39-35(52)30(50(9)10)16-24(4)60-39/h13-15,19,23-25,30-32,35,37,39,52,55H,11-12,16-18,20-22H2,1-10H3,(H2,45,47)/b48-29-,49-27+/t23-,24-,25+,30+,31-,32-,35-,37-,39+,41-,42+,43-/m1/s1
• InChIKey: DGWKESXTAQVGAH-LEQZYSGPSA-N
• XLogP: 3.99
• TPSA: 239.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.00
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide?

The IUPAC name of N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide (CID 89142482) is N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide.

What is the SMILES notation for N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide?

The canonical SMILES for N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide is CCC(=O)/N=C1/C[C@H]2OC/C(=N\OCc3coc(-c4cccc(N)n4)n3)CO[C@](C)(C[C@H]1C)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CC)[C@@]2(C)O.

What is the InChIKey of N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide?

The InChIKey is DGWKESXTAQVGAH-LEQZYSGPSA-N. The full InChI is InChI=1S/C43H63FN6O12/c1-11-31-43(8,55)32-17-29(48-34(51)12-2)23(3)18-41(6,58-21-27(20-56-32)49-59-22-26-19-57-38(46-26)28-14-13-15-33(45)47-28)37(25(5)36(53)42(7,44)40(54)61-31)62-39-35(52)30(50(9)10)16-24(4)60-39/h13-15,19,23-25,30-32,35,37,39,52,55H,11-12,16-18,20-22H2,1-10H3,(H2,45,47)/b48-29-,49-27+/t23-,24-,25+,30+,31-,32-,35-,37-,39+,41-,42+,43-/m1/s1.

What are the key properties of N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide?

N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide has a molecular weight of 875.00 g/mol, XLogP of 3.99, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S,3R,6S,8R,9R,10R,13E,18R)-13-[[2-(6-amino-2-pyridinyl)-1,3-oxazol-4-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide is sourced from PubChem (CID 89142482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).