(1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione

C34H62N2O9 — CID 11490656

About (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione

(1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione (PubChem CID 11490656) has the molecular formula C34H62N2O9 and a molecular weight of 642.88 g/mol. Its IUPAC name is (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione.

Molecular Properties

• Compound Name: (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione
• PubChem CID: 11490656
• Molecular Formula: C34H62N2O9
• Molecular Weight: 642.88 g/mol
• Exact Mass: 642.45
• IUPAC Name: (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione
• 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)N(C)C[C@H](C)[C@@H](OCC(C)CO2)[C@]1(C)O
• InChI: InChI=1S/C34H62N2O9/c1-13-26-34(9,40)29-20(3)16-36(12)21(4)15-33(8,42-18-19(2)17-41-29)30(23(6)27(37)24(7)31(39)44-26)45-32-28(38)25(35(10)11)14-22(5)43-32/h19-26,28-30,32,38,40H,13-18H2,1-12H3/t19?,20-,21+,22+,23-,24+,25-,26+,28+,29+,30+,32-,33+,34+/m0/s1
• InChIKey: SNHFOYHCLKKNAA-YBGXCBMFSA-N
• XLogP: 2.88
• TPSA: 127.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.88
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione?

The IUPAC name of (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione (CID 11490656) is (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione.

What is the SMILES notation for (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione?

The canonical SMILES for (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione 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)N(C)C[C@H](C)[C@@H](OCC(C)CO2)[C@]1(C)O.

What is the InChIKey of (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione?

The InChIKey is SNHFOYHCLKKNAA-YBGXCBMFSA-N. The full InChI is InChI=1S/C34H62N2O9/c1-13-26-34(9,40)29-20(3)16-36(12)21(4)15-33(8,42-18-19(2)17-41-29)30(23(6)27(37)24(7)31(39)44-26)45-32-28(38)25(35(10)11)14-22(5)43-32/h19-26,28-30,32,38,40H,13-18H2,1-12H3/t19?,20-,21+,22+,23-,24+,25-,26+,28+,29+,30+,32-,33+,34+/m0/s1.

What are the key properties of (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione?

(1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione has a molecular weight of 642.88 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,13,16,18,19-octamethyl-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione is sourced from PubChem (CID 11490656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).