[(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate

C40H65NO7Si — CID 59037444

About [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate

[(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate (PubChem CID 59037444) has the molecular formula C40H65NO7Si and a molecular weight of 700.05 g/mol. Its IUPAC name is [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate.

Molecular Properties

• Compound Name: [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
• PubChem CID: 59037444
• Molecular Formula: C40H65NO7Si
• Molecular Weight: 700.05 g/mol
• Exact Mass: 699.45
• IUPAC Name: [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
• SMILES: CC(C)CO[C@H]([C@H](CO[Si](C(C)C)(C(C)C)C(C)C)Cc1ccccc1)[C@H](C)OC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C40H65NO7Si/c1-28(2)24-45-37(35(23-33-19-15-13-16-20-33)26-46-49(29(3)4,30(5)6)31(7)8)32(9)47-38(42)36(41-39(43)48-40(10,11)12)27-44-25-34-21-17-14-18-22-34/h13-22,28-32,35-37H,23-27H2,1-12H3,(H,41,43)/t32-,35-,36-,37-/m0/s1
• InChIKey: GSENNVGPSQBVDS-CJFIHWLOSA-N
• XLogP: 9.12
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.05
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate?

The IUPAC name of [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate (CID 59037444) is [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate.

What is the SMILES notation for [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate?

The canonical SMILES for [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate is CC(C)CO[C@H]([C@H](CO[Si](C(C)C)(C(C)C)C(C)C)Cc1ccccc1)[C@H](C)OC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C.

What is the InChIKey of [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate?

The InChIKey is GSENNVGPSQBVDS-CJFIHWLOSA-N. The full InChI is InChI=1S/C40H65NO7Si/c1-28(2)24-45-37(35(23-33-19-15-13-16-20-33)26-46-49(29(3)4,30(5)6)31(7)8)32(9)47-38(42)36(41-39(43)48-40(10,11)12)27-44-25-34-21-17-14-18-22-34/h13-22,28-32,35-37H,23-27H2,1-12H3,(H,41,43)/t32-,35-,36-,37-/m0/s1.

What are the key properties of [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate?

[(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate has a molecular weight of 700.05 g/mol, XLogP of 9.12, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate is sourced from PubChem (CID 59037444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).