(2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

C33H69N3O5Si2 — CID 140682107

About (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

(2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 140682107) has the molecular formula C33H69N3O5Si2 and a molecular weight of 644.10 g/mol. Its IUPAC name is (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

• Compound Name: (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
• PubChem CID: 140682107
• Molecular Formula: C33H69N3O5Si2
• Molecular Weight: 644.10 g/mol
• Exact Mass: 643.48
• IUPAC Name: (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
• SMILES: CCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1[C@H](CO)N=[N+]=[N-]
• InChI: InChI=1S/C33H69N3O5Si2/c1-14-15-16-17-18-19-20-21-22-23-24-27(40-42(10,11)31(2,3)4)29(41-43(12,13)32(5,6)7)30-28(26(25-37)35-36-34)38-33(8,9)39-30/h26-30,37H,14-25H2,1-13H3/t26-,27-,28-,29-,30-/m0/s1
• InChIKey: QYXYBJIKCIDTDZ-IIZANFQQSA-N
• XLogP: 10.27
• TPSA: 105.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.10
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?

The IUPAC name of (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 140682107) is (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

What is the SMILES notation for (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?

The canonical SMILES for (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is CCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1[C@H](CO)N=[N+]=[N-].

What is the InChIKey of (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?

The InChIKey is QYXYBJIKCIDTDZ-IIZANFQQSA-N. The full InChI is InChI=1S/C33H69N3O5Si2/c1-14-15-16-17-18-19-20-21-22-23-24-27(40-42(10,11)31(2,3)4)29(41-43(12,13)32(5,6)7)30-28(26(25-37)35-36-34)38-33(8,9)39-30/h26-30,37H,14-25H2,1-13H3/t26-,27-,28-,29-,30-/m0/s1.

What are the key properties of (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?

(2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 644.10 g/mol, XLogP of 10.27, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 140682107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).