ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate

C52H85N9O16Si3 — CID 101029666

About ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate

ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate (PubChem CID 101029666) has the molecular formula C52H85N9O16Si3 and a molecular weight of 1176.56 g/mol. Its IUPAC name is ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate.

Molecular Properties

• Compound Name: ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
• PubChem CID: 101029666
• Molecular Formula: C52H85N9O16Si3
• Molecular Weight: 1176.56 g/mol
• Exact Mass: 1175.54
• IUPAC Name: ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
• SMILES: CCOC(=O)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(=O)C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(=O)C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CN
• InChI: InChI=1S/C52H85N9O16Si3/c1-17-71-46(67)39-33(74-45(61-23-20-36(64)58-49(61)70)42(39)77-80(15,16)52(8,9)10)28-55-38(66)25-30-32(73-44(60-22-19-35(63)57-48(60)69)41(30)76-79(13,14)51(5,6)7)27-54-37(65)24-29-31(26-53)72-43(59-21-18-34(62)56-47(59)68)40(29)75-78(11,12)50(2,3)4/h18-23,29-33,39-45H,17,24-28,53H2,1-16H3,(H,54,65)(H,55,66)(H,56,62,68)(H,57,63,69)(H,58,64,70)/t29-,30-,31-,32-,33-,39-,40-,41-,42-,43-,44-,45-/m1/s1
• InChIKey: CWYSHBXPMVWSNZ-LOWKULAKSA-N
• XLogP: 2.88
• TPSA: 330.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1176.56
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate?

The IUPAC name of ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate (CID 101029666) is ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate.

What is the SMILES notation for ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate?

The canonical SMILES for ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate is CCOC(=O)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(=O)C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(=O)C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CN.

What is the InChIKey of ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate?

The InChIKey is CWYSHBXPMVWSNZ-LOWKULAKSA-N. The full InChI is InChI=1S/C52H85N9O16Si3/c1-17-71-46(67)39-33(74-45(61-23-20-36(64)58-49(61)70)42(39)77-80(15,16)52(8,9)10)28-55-38(66)25-30-32(73-44(60-22-19-35(63)57-48(60)69)41(30)76-79(13,14)51(5,6)7)27-54-37(65)24-29-31(26-53)72-43(59-21-18-34(62)56-47(59)68)40(29)75-78(11,12)50(2,3)4/h18-23,29-33,39-45H,17,24-28,53H2,1-16H3,(H,54,65)(H,55,66)(H,56,62,68)(H,57,63,69)(H,58,64,70)/t29-,30-,31-,32-,33-,39-,40-,41-,42-,43-,44-,45-/m1/s1.

What are the key properties of ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate?

ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate has a molecular weight of 1176.56 g/mol, XLogP of 2.88, 20 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-[[[2-[(2S,3R,4R,5R)-2-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetyl]amino]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate is sourced from PubChem (CID 101029666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).