(1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione

C34H60N2O10 — CID 58618519

About (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione

(1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione (PubChem CID 58618519) has the molecular formula C34H60N2O10 and a molecular weight of 656.86 g/mol. Its IUPAC name is (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione.

Molecular Properties

• Compound Name: (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione
• PubChem CID: 58618519
• Molecular Formula: C34H60N2O10
• Molecular Weight: 656.86 g/mol
• Exact Mass: 656.42
• IUPAC Name: (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC)[C@@]2(C)C[C@@H](C)/C(=N\C)[C@H](C)[C@@H](OCC(=O)CO2)[C@]1(C)O
• InChI: InChI=1S/C34H60N2O10/c1-13-25-34(8,40)30-20(4)26(35-9)18(2)15-33(7,43-17-23(37)16-42-30)29(21(5)27(38)22(6)31(39)45-25)46-32-28(41-12)24(36(10)11)14-19(3)44-32/h18-22,24-25,27-30,32,38,40H,13-17H2,1-12H3/b35-26+/t18-,19-,20+,21+,22-,24+,25-,27+,28-,29-,30-,32+,33-,34-/m1/s1
• InChIKey: ZBPJHSKTODNHIA-RYUIJNSSSA-N
• XLogP: 2.65
• TPSA: 145.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.86
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione?

The IUPAC name of (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione (CID 58618519) is (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione.

What is the SMILES notation for (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione?

The canonical SMILES for (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione is CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC)[C@@]2(C)C[C@@H](C)/C(=N\C)[C@H](C)[C@@H](OCC(=O)CO2)[C@]1(C)O.

What is the InChIKey of (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione?

The InChIKey is ZBPJHSKTODNHIA-RYUIJNSSSA-N. The full InChI is InChI=1S/C34H60N2O10/c1-13-25-34(8,40)30-20(4)26(35-9)18(2)15-33(7,43-17-23(37)16-42-30)29(21(5)27(38)22(6)31(39)45-25)46-32-28(41-12)24(36(10)11)14-19(3)44-32/h18-22,24-25,27-30,32,38,40H,13-17H2,1-12H3/b35-26+/t18-,19-,20+,21+,22-,24+,25-,27+,28-,29-,30-,32+,33-,34-/m1/s1.

What are the key properties of (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione?

(1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione has a molecular weight of 656.86 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,3R,6R,7S,8S,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,13-dione is sourced from PubChem (CID 58618519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).