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

C39H61N5O11 — CID 10055999

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

N-[(1R,2S,3R,6R,8R,9R,10R,13Z,18R)-13-[(2-amino-3-pyridinyl)methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide (PubChem CID 10055999) has the molecular formula C39H61N5O11 and a molecular weight of 775.94 g/mol. Its IUPAC name is N-[(1R,2S,3R,6R,8R,9R,10R,13Z,18R)-13-[(2-amino-3-pyridinyl)methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide.

Molecular Properties

• Compound Name: N-[(1R,2S,3R,6R,8R,9R,10R,13Z,18R)-13-[(2-amino-3-pyridinyl)methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide
• PubChem CID: 10055999
• Molecular Formula: C39H61N5O11
• Molecular Weight: 775.94 g/mol
• Exact Mass: 775.44
• IUPAC Name: N-[(1R,2S,3R,6R,8R,9R,10R,13Z,18R)-13-[(2-amino-3-pyridinyl)methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide
• SMILES: CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)C[C@@H](OC/C(=N/OCc3cccnc3N)CO2)[C@]1(C)O
• InChI: InChI=1S/C39H61N5O11/c1-11-30-39(8,49)31-16-28(42-25(6)45)21(2)17-38(7,51-20-27(19-50-31)43-52-18-26-13-12-14-41-35(26)40)34(23(4)32(46)24(5)36(48)54-30)55-37-33(47)29(44(9)10)15-22(3)53-37/h12-14,21-24,29-31,33-34,37,47,49H,11,15-20H2,1-10H3,(H2,40,41)/b42-28-,43-27-/t21-,22-,23+,24-,29+,30-,31-,33-,34-,37+,38-,39-/m1/s1
• InChIKey: DNQCZMUJJXJWFH-JOCUBASUSA-N
• XLogP: 2.85
• TPSA: 213.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.94
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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

The IUPAC name of N-[(1R,2S,3R,6R,8R,9R,10R,13Z,18R)-13-[(2-amino-3-pyridinyl)methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide (CID 10055999) is N-[(1R,2S,3R,6R,8R,9R,10R,13Z,18R)-13-[(2-amino-3-pyridinyl)methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide.

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

The canonical SMILES for N-[(1R,2S,3R,6R,8R,9R,10R,13Z,18R)-13-[(2-amino-3-pyridinyl)methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide is CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)C[C@@H](OC/C(=N/OCc3cccnc3N)CO2)[C@]1(C)O.

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

The InChIKey is DNQCZMUJJXJWFH-JOCUBASUSA-N. The full InChI is InChI=1S/C39H61N5O11/c1-11-30-39(8,49)31-16-28(42-25(6)45)21(2)17-38(7,51-20-27(19-50-31)43-52-18-26-13-12-14-41-35(26)40)34(23(4)32(46)24(5)36(48)54-30)55-37-33(47)29(44(9)10)15-22(3)53-37/h12-14,21-24,29-31,33-34,37,47,49H,11,15-20H2,1-10H3,(H2,40,41)/b42-28-,43-27-/t21-,22-,23+,24-,29+,30-,31-,33-,34-,37+,38-,39-/m1/s1.

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

N-[(1R,2S,3R,6R,8R,9R,10R,13Z,18R)-13-[(2-amino-3-pyridinyl)methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide has a molecular weight of 775.94 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S,3R,6R,8R,9R,10R,13Z,18R)-13-[(2-amino-3-pyridinyl)methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,18-pentamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide is sourced from PubChem (CID 10055999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).