[(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane

C68H98N8O20Si3 — CID 175719841

About [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane

[(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane (PubChem CID 175719841) has the molecular formula C68H98N8O20Si3 and a molecular weight of 1431.83 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane
• PubChem CID: 175719841
• Molecular Formula: C68H98N8O20Si3
• Molecular Weight: 1431.83 g/mol
• Exact Mass: 1430.62
• IUPAC Name: [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane
• SMILES: COc1ccc(C(OC[C@]2(CO[Si](C(C)C)(C(C)C)C(C)C)CN(CCOCCOCCOC[C@]3(COC(C)=O)O[C@@H](n4cnc5c(=O)[nH]c(NC(=O)C(C)C)nc54)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1.[SiH3]O[SiH3]
• InChI: InChI=1S/C68H92N8O19Si.H6OSi2/c1-42(2)60(80)71-64-70-59-56(62(82)72-64)69-41-76(59)63-57(92-48(11)78)58(93-49(12)79)67(95-63,40-89-47(10)77)39-88-33-32-87-31-30-86-29-28-74-35-55(75-34-46(9)61(81)73-65(75)83)94-66(36-74,38-91-96(43(3)4,44(5)6)45(7)8)37-90-68(50-18-16-15-17-19-50,51-20-24-53(84-13)25-21-51)52-22-26-54(85-14)27-23-52;2-1-3/h15-27,34,41-45,55,57-58,63H,28-33,35-40H2,1-14H3,(H,73,81,83)(H2,70,71,72,80,82);2-3H3/t55-,57-,58+,63-,66+,67-;/m1./s1
• InChIKey: KRLFLTCOORIRLR-VCSPFFLRSA-N
• XLogP: 4.67
• TPSA: 321.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 33
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1431.83
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane?

The IUPAC name of [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane (CID 175719841) is [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane.

What is the SMILES notation for [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane?

The canonical SMILES for [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane is COc1ccc(C(OC[C@]2(CO[Si](C(C)C)(C(C)C)C(C)C)CN(CCOCCOCCOC[C@]3(COC(C)=O)O[C@@H](n4cnc5c(=O)[nH]c(NC(=O)C(C)C)nc54)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1.[SiH3]O[SiH3].

What is the InChIKey of [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane?

The InChIKey is KRLFLTCOORIRLR-VCSPFFLRSA-N. The full InChI is InChI=1S/C68H92N8O19Si.H6OSi2/c1-42(2)60(80)71-64-70-59-56(62(82)72-64)69-41-76(59)63-57(92-48(11)78)58(93-49(12)79)67(95-63,40-89-47(10)77)39-88-33-32-87-31-30-86-29-28-74-35-55(75-34-46(9)61(81)73-65(75)83)94-66(36-74,38-91-96(43(3)4,44(5)6)45(7)8)37-90-68(50-18-16-15-17-19-50,51-20-24-53(84-13)25-21-51)52-22-26-54(85-14)27-23-52;2-1-3/h15-27,34,41-45,55,57-58,63H,28-33,35-40H2,1-14H3,(H,73,81,83)(H2,70,71,72,80,82);2-3H3/t55-,57-,58+,63-,66+,67-;/m1./s1.

What are the key properties of [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane?

[(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane has a molecular weight of 1431.83 g/mol, XLogP of 4.67, 33 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-3,4-diacetyloxy-2-[2-[2-[2-[(2S,6R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]morpholin-4-yl]ethoxy]ethoxy]ethoxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl acetate;silyloxysilane is sourced from PubChem (CID 175719841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).