methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C40H60N2O6Si2 — CID 10580726

About methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 10580726) has the molecular formula C40H60N2O6Si2 and a molecular weight of 721.10 g/mol. Its IUPAC name is methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

• Compound Name: methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
• PubChem CID: 10580726
• Molecular Formula: C40H60N2O6Si2
• Molecular Weight: 721.10 g/mol
• Exact Mass: 720.40
• IUPAC Name: methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
• SMILES: COC(=O)C[C@H]([C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)N(Cc1ccccc1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C40H60N2O6Si2/c1-38(2,3)47-37(44)41-34(30-46-50(40(7,8)9,32-24-18-14-19-25-32)33-26-20-15-21-27-33)35(28-36(43)45-10)42(29-31-22-16-13-17-23-31)48-49(11,12)39(4,5)6/h13-27,34-35H,28-30H2,1-12H3,(H,41,44)/t34-,35+/m0/s1
• InChIKey: ZDSDFVPMYRGNPL-OIDHKYIRSA-N
• XLogP: 7.83
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.10
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?

The IUPAC name of methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 10580726) is methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

What is the SMILES notation for methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?

The canonical SMILES for methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COC(=O)C[C@H]([C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)N(Cc1ccccc1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?

The InChIKey is ZDSDFVPMYRGNPL-OIDHKYIRSA-N. The full InChI is InChI=1S/C40H60N2O6Si2/c1-38(2,3)47-37(44)41-34(30-46-50(40(7,8)9,32-24-18-14-19-25-32)33-26-20-15-21-27-33)35(28-36(43)45-10)42(29-31-22-16-13-17-23-31)48-49(11,12)39(4,5)6/h13-27,34-35H,28-30H2,1-12H3,(H,41,44)/t34-,35+/m0/s1.

What are the key properties of methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?

methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 721.10 g/mol, XLogP of 7.83, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 10580726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).