(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

C41H77NO11Si — CID 11297286

About (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione (PubChem CID 11297286) has the molecular formula C41H77NO11Si and a molecular weight of 788.15 g/mol. Its IUPAC name is (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.

Molecular Properties

• Compound Name: (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
• PubChem CID: 11297286
• Molecular Formula: C41H77NO11Si
• Molecular Weight: 788.15 g/mol
• Exact Mass: 787.53
• IUPAC Name: (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O[Si](C)(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
• InChI: InChI=1S/C41H77NO11Si/c1-17-31-26(6)34(44)27(7)33(43)23(3)20-41(11,46)37(52-39-36(53-54(14,15)16)30(42(12)18-2)19-24(4)49-39)28(8)35(29(9)38(45)50-31)51-32-22-40(10,47-13)21-25(5)48-32/h23-32,34-37,39,44,46H,17-22H2,1-16H3/t23-,24-,25+,26+,27+,28+,29-,30+,31-,32+,34+,35+,36-,37-,39+,40+,41-/m1/s1
• InChIKey: MBZGOABZCYSNTN-HZKXTEDXSA-N
• XLogP: 5.95
• TPSA: 142.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	788.15
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?

The IUPAC name of (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione (CID 11297286) is (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.

What is the SMILES notation for (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?

The canonical SMILES for (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione is CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O[Si](C)(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C.

What is the InChIKey of (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?

The InChIKey is MBZGOABZCYSNTN-HZKXTEDXSA-N. The full InChI is InChI=1S/C41H77NO11Si/c1-17-31-26(6)34(44)27(7)33(43)23(3)20-41(11,46)37(52-39-36(53-54(14,15)16)30(42(12)18-2)19-24(4)49-39)28(8)35(29(9)38(45)50-31)51-32-22-40(10,47-13)21-25(5)48-32/h23-32,34-37,39,44,46H,17-22H2,1-16H3/t23-,24-,25+,26+,27+,28+,29-,30+,31-,32+,34+,35+,36-,37-,39+,40+,41-/m1/s1.

What are the key properties of (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione?

(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione has a molecular weight of 788.15 g/mol, XLogP of 5.95, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione is sourced from PubChem (CID 11297286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).