[(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate

C51H89NO8Si — CID 56933728

About [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate

[(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate (PubChem CID 56933728) has the molecular formula C51H89NO8Si and a molecular weight of 872.36 g/mol. Its IUPAC name is [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate.

Molecular Properties

• Compound Name: [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate
• PubChem CID: 56933728
• Molecular Formula: C51H89NO8Si
• Molecular Weight: 872.36 g/mol
• Exact Mass: 871.64
• IUPAC Name: [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate
• SMILES: CCC[C@H](C[C@@H]1CC[C@H]([C@@H](CC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]2CC[C@H]([C@@H](CC)C(=O)O[C@@H](CCC)[C@H](C)[C@@H]3CC[C@H]([C@@H](C)C(=O)OCc4ccccc4)O3)O2)O1)N(C)C
• InChI: InChI=1S/C51H89NO8Si/c1-15-22-38(52(11)12)32-39-26-27-46(56-39)40(17-3)48(60-61(13,14)51(8,9)10)35(6)44-30-31-47(58-44)41(18-4)50(54)59-42(23-16-2)34(5)43-28-29-45(57-43)36(7)49(53)55-33-37-24-20-19-21-25-37/h19-21,24-25,34-36,38-48H,15-18,22-23,26-33H2,1-14H3/t34-,35+,36+,38+,39-,40+,41+,42-,43-,44-,45+,46+,47+,48+/m0/s1
• InChIKey: NCFSUDXLCGDYKY-GKJYQCFUSA-N
• XLogP: 11.56
• TPSA: 92.76 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.36
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate?

The IUPAC name of [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate (CID 56933728) is [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate.

What is the SMILES notation for [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate?

The canonical SMILES for [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate is CCC[C@H](C[C@@H]1CC[C@H]([C@@H](CC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]2CC[C@H]([C@@H](CC)C(=O)O[C@@H](CCC)[C@H](C)[C@@H]3CC[C@H]([C@@H](C)C(=O)OCc4ccccc4)O3)O2)O1)N(C)C.

What is the InChIKey of [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate?

The InChIKey is NCFSUDXLCGDYKY-GKJYQCFUSA-N. The full InChI is InChI=1S/C51H89NO8Si/c1-15-22-38(52(11)12)32-39-26-27-46(56-39)40(17-3)48(60-61(13,14)51(8,9)10)35(6)44-30-31-47(58-44)41(18-4)50(54)59-42(23-16-2)34(5)43-28-29-45(57-43)36(7)49(53)55-33-37-24-20-19-21-25-37/h19-21,24-25,34-36,38-48H,15-18,22-23,26-33H2,1-14H3/t34-,35+,36+,38+,39-,40+,41+,42-,43-,44-,45+,46+,47+,48+/m0/s1.

What are the key properties of [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate?

[(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate has a molecular weight of 872.36 g/mol, XLogP of 11.56, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate is sourced from PubChem (CID 56933728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).