[(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

C50H76N2O11Si — CID 157260886

About [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

[(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 157260886) has the molecular formula C50H76N2O11Si and a molecular weight of 909.25 g/mol. Its IUPAC name is [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

• Compound Name: [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
• PubChem CID: 157260886
• Molecular Formula: C50H76N2O11Si
• Molecular Weight: 909.25 g/mol
• Exact Mass: 908.52
• IUPAC Name: [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
• SMILES: CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N[C@@H]1C(=O)OC[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]1OC(C)CC(N(C)C)C1C)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1
• InChI: InChI=1S/C50H76N2O11Si/c1-17-39(63-64(47(7,8)9,36-24-20-18-21-25-36)37-26-22-19-23-27-37)50(13)41(51-46(55)62-50)44(54)57-30-31(2)29-49(12,56-16)42(34(5)40-35(6)43(53)61-48(10,11)60-40)59-45-33(4)38(52(14)15)28-32(3)58-45/h18-27,31-34,38-39,41-42,45H,17,28-30H2,1-16H3,(H,51,55)/t31-,32?,33?,34+,38?,39-,41-,42-,45+,49-,50-/m1/s1
• InChIKey: QWCGXZWLNWDIAZ-FVBWUBCFSA-N
• XLogP: 7.49
• TPSA: 140.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.25
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?

The IUPAC name of [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 157260886) is [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.

What is the SMILES notation for [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?

The canonical SMILES for [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N[C@@H]1C(=O)OC[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]1OC(C)CC(N(C)C)C1C)[C@@H](C)C1=C(C)C(=O)OC(C)(C)O1.

What is the InChIKey of [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?

The InChIKey is QWCGXZWLNWDIAZ-FVBWUBCFSA-N. The full InChI is InChI=1S/C50H76N2O11Si/c1-17-39(63-64(47(7,8)9,36-24-20-18-21-25-36)37-26-22-19-23-27-37)50(13)41(51-46(55)62-50)44(54)57-30-31(2)29-49(12,56-16)42(34(5)40-35(6)43(53)61-48(10,11)60-40)59-45-33(4)38(52(14)15)28-32(3)58-45/h18-27,31-34,38-39,41-42,45H,17,28-30H2,1-16H3,(H,51,55)/t31-,32?,33?,34+,38?,39-,41-,42-,45+,49-,50-/m1/s1.

What are the key properties of [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?

[(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 909.25 g/mol, XLogP of 7.49, 18 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R,5R,6R)-5-[(2S)-4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4-dimethyl-6-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)heptyl] (4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 157260886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).