benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate

C48H83NO8Si — CID 177438704

About benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate

benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate (PubChem CID 177438704) has the molecular formula C48H83NO8Si and a molecular weight of 830.28 g/mol. Its IUPAC name is benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate.

Molecular Properties

• Compound Name: benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate
• PubChem CID: 177438704
• Molecular Formula: C48H83NO8Si
• Molecular Weight: 830.28 g/mol
• Exact Mass: 829.59
• IUPAC Name: benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate
• SMILES: CCC[C@@H](C[C@@H]1CC[C@H]([C@H](C)C(=O)OCc2ccccc2)O1)OC(=O)[C@H](C)[C@H]1CC[C@@H]([C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)O1
• InChI: InChI=1S/C48H83NO8Si/c1-14-19-37(49(10)11)29-39-23-25-41(53-39)32(3)45(57-58(12,13)48(7,8)9)33(4)42-27-28-44(56-42)35(6)47(51)55-38(20-15-2)30-40-24-26-43(54-40)34(5)46(50)52-31-36-21-17-16-18-22-36/h16-18,21-22,32-35,37-45H,14-15,19-20,23-31H2,1-13H3/t32-,33-,34-,35+,37+,38-,39-,40-,41+,42-,43+,44+,45-/m0/s1
• InChIKey: DBAVUOGIKBUDNF-HFWWPWAPSA-N
• XLogP: 10.53
• TPSA: 92.76 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.28
LogP ≤ 5	10.53
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 benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate?

The IUPAC name of benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate (CID 177438704) is benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate.

What is the SMILES notation for benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate?

The canonical SMILES for benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate is CCC[C@@H](C[C@@H]1CC[C@H]([C@H](C)C(=O)OCc2ccccc2)O1)OC(=O)[C@H](C)[C@H]1CC[C@@H]([C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)O1.

What is the InChIKey of benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate?

The InChIKey is DBAVUOGIKBUDNF-HFWWPWAPSA-N. The full InChI is InChI=1S/C48H83NO8Si/c1-14-19-37(49(10)11)29-39-23-25-41(53-39)32(3)45(57-58(12,13)48(7,8)9)33(4)42-27-28-44(56-42)35(6)47(51)55-38(20-15-2)30-40-24-26-43(54-40)34(5)46(50)52-31-36-21-17-16-18-22-36/h16-18,21-22,32-35,37-45H,14-15,19-20,23-31H2,1-13H3/t32-,33-,34-,35+,37+,38-,39-,40-,41+,42-,43+,44+,45-/m0/s1.

What are the key properties of benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate?

benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate has a molecular weight of 830.28 g/mol, XLogP of 10.53, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate is sourced from PubChem (CID 177438704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).