[(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate

C57H109O15PSi2 — CID 10820066

About [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate

[(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate (PubChem CID 10820066) has the molecular formula C57H109O15PSi2 and a molecular weight of 1121.63 g/mol. Its IUPAC name is [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate.

Molecular Properties

• Compound Name: [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate
• PubChem CID: 10820066
• Molecular Formula: C57H109O15PSi2
• Molecular Weight: 1121.63 g/mol
• Exact Mass: 1120.70
• IUPAC Name: [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate
• SMILES: CCOP(=O)(OCC)C(C)C(=O)O[C@@H](C(C)C)[C@@H](C)CC[C@@H](C[C@H]1C[C@@H](C[C@@H]2C[C@H](C[C@H]3C[C@H](C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC=O)O4)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C57H109O15PSi2/c1-23-61-73(60,62-24-2)40(6)52(59)64-51(38(3)4)39(5)25-26-42(71-74(19,20)53(7,8)9)30-44-33-46(67-55(13,14)65-44)35-48-37-49(70-57(17,18)69-48)36-47-34-45(66-56(15,16)68-47)31-43-32-50(29-41(63-43)27-28-58)72-75(21,22)54(10,11)12/h28,38-51H,23-27,29-37H2,1-22H3/t39-,40?,41+,42-,43-,44-,45-,46-,47+,48+,49-,50-,51-/m0/s1
• InChIKey: WWAOAGNSHUARRE-PBSRVVICSA-N
• XLogP: 13.83
• TPSA: 161.97 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.63
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate?

The IUPAC name of [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate (CID 10820066) is [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate.

What is the SMILES notation for [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate?

The canonical SMILES for [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate is CCOP(=O)(OCC)C(C)C(=O)O[C@@H](C(C)C)[C@@H](C)CC[C@@H](C[C@H]1C[C@@H](C[C@@H]2C[C@H](C[C@H]3C[C@H](C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC=O)O4)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate?

The InChIKey is WWAOAGNSHUARRE-PBSRVVICSA-N. The full InChI is InChI=1S/C57H109O15PSi2/c1-23-61-73(60,62-24-2)40(6)52(59)64-51(38(3)4)39(5)25-26-42(71-74(19,20)53(7,8)9)30-44-33-46(67-55(13,14)65-44)35-48-37-49(70-57(17,18)69-48)36-47-34-45(66-56(15,16)68-47)31-43-32-50(29-41(63-43)27-28-58)72-75(21,22)54(10,11)12/h28,38-51H,23-27,29-37H2,1-22H3/t39-,40?,41+,42-,43-,44-,45-,46-,47+,48+,49-,50-,51-/m0/s1.

What are the key properties of [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate?

[(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate has a molecular weight of 1121.63 g/mol, XLogP of 13.83, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6S)-6-[[(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyloctan-3-yl] 2-diethoxyphosphorylpropanoate is sourced from PubChem (CID 10820066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).