(1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one

C43H65N5O10 — CID 24888345

About (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one

(1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one (PubChem CID 24888345) has the molecular formula C43H65N5O10 and a molecular weight of 812.02 g/mol. Its IUPAC name is (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one.

Molecular Properties

• Compound Name: (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one
• PubChem CID: 24888345
• Molecular Formula: C43H65N5O10
• Molecular Weight: 812.02 g/mol
• Exact Mass: 811.47
• IUPAC Name: (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@H]2OC/C(=N\OCc3ccc(-c4cccc(N)n4)nc3)CO[C@](C)(C[C@@H](C)C3OC1(C)C(O)C3C)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H]2C
• InChI: InChI=1S/C43H65N5O10/c1-11-33-43(8)38(50)25(4)36(58-43)23(2)18-42(7)39(57-41-35(49)32(48(9)10)17-24(3)55-41)26(5)37(27(6)40(51)56-33)52-21-29(22-53-42)47-54-20-28-15-16-30(45-19-28)31-13-12-14-34(44)46-31/h12-16,19,23-27,32-33,35-39,41,49-50H,11,17-18,20-22H2,1-10H3,(H2,44,46)/b47-29+/t23-,24-,25?,26-,27-,32+,33-,35-,36?,37+,38?,39-,41+,42-,43?/m1/s1
• InChIKey: XGVJVZBXBXDHOX-QZDXKZQBSA-N
• XLogP: 4.37
• TPSA: 189.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.02
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'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 (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one?

The IUPAC name of (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one (CID 24888345) is (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one.

What is the SMILES notation for (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one?

The canonical SMILES for (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one is CC[C@H]1OC(=O)[C@H](C)[C@H]2OC/C(=N\OCc3ccc(-c4cccc(N)n4)nc3)CO[C@](C)(C[C@@H](C)C3OC1(C)C(O)C3C)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H]2C.

What is the InChIKey of (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one?

The InChIKey is XGVJVZBXBXDHOX-QZDXKZQBSA-N. The full InChI is InChI=1S/C43H65N5O10/c1-11-33-43(8)38(50)25(4)36(58-43)23(2)18-42(7)39(57-41-35(49)32(48(9)10)17-24(3)55-41)26(5)37(27(6)40(51)56-33)52-21-29(22-53-42)47-54-20-28-15-16-30(45-19-28)31-13-12-14-34(44)46-31/h12-16,19,23-27,32-33,35-39,41,49-50H,11,17-18,20-22H2,1-10H3,(H2,44,46)/b47-29+/t23-,24-,25?,26-,27-,32+,33-,35-,36?,37+,38?,39-,41+,42-,43?/m1/s1.

What are the key properties of (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one?

(1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one has a molecular weight of 812.02 g/mol, XLogP of 4.37, 8 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3R,8R,11R,12S,15E,18R,19R)-15-[[6-(6-amino-2-pyridinyl)-3-pyridinyl]methoxyimino]-18-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-6-hydroxy-1,3,5,7,11,19-hexamethyl-9,13,17,20-tetraoxatricyclo[10.5.2.14,7]icosan-10-one is sourced from PubChem (CID 24888345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).