[(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate

C57H77N5O14Si — CID 163263297

About [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate

[(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate (PubChem CID 163263297) has the molecular formula C57H77N5O14Si and a molecular weight of 1084.35 g/mol. Its IUPAC name is [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate.

Molecular Properties

• Compound Name: [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate
• PubChem CID: 163263297
• Molecular Formula: C57H77N5O14Si
• Molecular Weight: 1084.35 g/mol
• Exact Mass: 1083.52
• IUPAC Name: [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate
• SMILES: COc1ccc(C(OC[C@]2(CO[Si](C(C)C)(C(C)C)C(C)C)CN(C(=O)CCCC(=O)N3C[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3)C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C57H77N5O14Si/c1-36(2)77(37(3)4,38(5)6)73-35-56(34-72-57(43-17-14-13-15-18-43,44-21-25-46(70-11)26-22-44)45-23-27-47(71-12)28-24-45)33-61(32-52(76-56)62-29-39(7)54(68)59-55(62)69)51(67)20-16-19-50(66)60-30-48(58-40(8)63)53(75-42(10)65)49(31-60)74-41(9)64/h13-15,17-18,21-29,36-38,48-49,52-53H,16,19-20,30-35H2,1-12H3,(H,58,63)(H,59,68,69)/t48-,49-,52+,53+,56-/m0/s1
• InChIKey: QOEJWUUJTWBZID-GDLWMALBSA-N
• XLogP: 6.54
• TPSA: 223.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1084.35
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate?

The IUPAC name of [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate (CID 163263297) is [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate.

What is the SMILES notation for [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate?

The canonical SMILES for [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate is COc1ccc(C(OC[C@]2(CO[Si](C(C)C)(C(C)C)C(C)C)CN(C(=O)CCCC(=O)N3C[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3)C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate?

The InChIKey is QOEJWUUJTWBZID-GDLWMALBSA-N. The full InChI is InChI=1S/C57H77N5O14Si/c1-36(2)77(37(3)4,38(5)6)73-35-56(34-72-57(43-17-14-13-15-18-43,44-21-25-46(70-11)26-22-44)45-23-27-47(71-12)28-24-45)33-61(32-52(76-56)62-29-39(7)54(68)59-55(62)69)51(67)20-16-19-50(66)60-30-48(58-40(8)63)53(75-42(10)65)49(31-60)74-41(9)64/h13-15,17-18,21-29,36-38,48-49,52-53H,16,19-20,30-35H2,1-12H3,(H,58,63)(H,59,68,69)/t48-,49-,52+,53+,56-/m0/s1.

What are the key properties of [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate?

[(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate has a molecular weight of 1084.35 g/mol, XLogP of 6.54, 22 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4R,5S)-5-acetamido-4-acetyloxy-1-[5-[(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]-5-oxopentanoyl]piperidin-3-yl] acetate is sourced from PubChem (CID 163263297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).