(2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one

C68H113FO11Si4 — CID 45141926

About (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one

(2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one (PubChem CID 45141926) has the molecular formula C68H113FO11Si4 and a molecular weight of 1237.98 g/mol. Its IUPAC name is (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one.

Molecular Properties

• Compound Name: (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one
• PubChem CID: 45141926
• Molecular Formula: C68H113FO11Si4
• Molecular Weight: 1237.98 g/mol
• Exact Mass: 1236.73
• IUPAC Name: (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one
• SMILES: CC[Si](CC)(CC)O[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO[C@@H]([C@H]2O[C@@](C)(C(=O)[C@@H](O)CCC3(CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)OCCO3)C[C@@H]2OCc2cccc(F)c2)C1
• InChI: InChI=1S/C68H113FO11Si4/c1-20-82(21-2,22-3)80-67(49-77-84(65(14,15)16,56-33-25-23-26-34-56)57-35-27-24-28-36-57)45-61(73-48-67)62-60(72-47-54-31-29-32-55(69)43-54)44-66(17,78-62)63(71)58(70)38-40-68(74-41-42-75-68)39-30-37-59(79-81(18,19)64(11,12)13)53(10)46-76-83(50(4)5,51(6)7)52(8)9/h23-29,31-36,43,50-53,58-62,70H,20-22,30,37-42,44-49H2,1-19H3/t53-,58-,59-,60-,61+,62-,66+,67+/m0/s1
• InChIKey: YDKPZOXMXHEQQZ-QRHLVILJSA-N
• XLogP: 15.23
• TPSA: 120.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 32
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1237.98
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one?

The IUPAC name of (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one (CID 45141926) is (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one.

What is the SMILES notation for (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one?

The canonical SMILES for (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one is CC[Si](CC)(CC)O[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO[C@@H]([C@H]2O[C@@](C)(C(=O)[C@@H](O)CCC3(CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)OCCO3)C[C@@H]2OCc2cccc(F)c2)C1.

What is the InChIKey of (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one?

The InChIKey is YDKPZOXMXHEQQZ-QRHLVILJSA-N. The full InChI is InChI=1S/C68H113FO11Si4/c1-20-82(21-2,22-3)80-67(49-77-84(65(14,15)16,56-33-25-23-26-34-56)57-35-27-24-28-36-57)45-61(73-48-67)62-60(72-47-54-31-29-32-55(69)43-54)44-66(17,78-62)63(71)58(70)38-40-68(74-41-42-75-68)39-30-37-59(79-81(18,19)64(11,12)13)53(10)46-76-83(50(4)5,51(6)7)52(8)9/h23-29,31-36,43,50-53,58-62,70H,20-22,30,37-42,44-49H2,1-19H3/t53-,58-,59-,60-,61+,62-,66+,67+/m0/s1.

What are the key properties of (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one?

(2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one has a molecular weight of 1237.98 g/mol, XLogP of 15.23, 32 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[2-[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexyl]-1,3-dioxolan-2-yl]-1-[(2R,4S,5S)-5-[(2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-triethylsilyloxyoxolan-2-yl]-4-[(3-fluorophenyl)methoxy]-2-methyloxolan-2-yl]-2-hydroxybutan-1-one is sourced from PubChem (CID 45141926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).