[(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane

C22H29IO4Si — CID 173074815

About [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane

[(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane (PubChem CID 173074815) has the molecular formula C22H29IO4Si and a molecular weight of 512.46 g/mol. Its IUPAC name is [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane.

Molecular Properties

• Compound Name: [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane
• PubChem CID: 173074815
• Molecular Formula: C22H29IO4Si
• Molecular Weight: 512.46 g/mol
• Exact Mass: 512.09
• IUPAC Name: [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane
• SMILES: COC1O[C@H](COC(C)(C)C)[C@@H](I)[C@H]1O[SiH](c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H29IO4Si/c1-22(2,3)25-15-18-19(23)20(21(24-4)26-18)27-28(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18-21,28H,15H2,1-4H3/t18-,19-,20-,21?/m1/s1
• InChIKey: LKQALQLQZLKWFJ-YJUWBKPTSA-N
• XLogP: 2.90
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.46
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane?

The IUPAC name of [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane (CID 173074815) is [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane.

What is the SMILES notation for [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane?

The canonical SMILES for [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane is COC1O[C@H](COC(C)(C)C)[C@@H](I)[C@H]1O[SiH](c1ccccc1)c1ccccc1.

What is the InChIKey of [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane?

The InChIKey is LKQALQLQZLKWFJ-YJUWBKPTSA-N. The full InChI is InChI=1S/C22H29IO4Si/c1-22(2,3)25-15-18-19(23)20(21(24-4)26-18)27-28(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18-21,28H,15H2,1-4H3/t18-,19-,20-,21?/m1/s1.

What are the key properties of [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane?

[(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane has a molecular weight of 512.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 173074815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).