(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal

C22H44O5Si2 — CID 59891820

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal (PubChem CID 59891820) has the molecular formula C22H44O5Si2 and a molecular weight of 444.76 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal.

Molecular Properties

• Compound Name: (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
• PubChem CID: 59891820
• Molecular Formula: C22H44O5Si2
• Molecular Weight: 444.76 g/mol
• Exact Mass: 444.27
• IUPAC Name: (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
• SMILES: C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H]1C[C@H](C=O)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H44O5Si2/c1-15-18(13-17(14-23)26-28(9,10)21(3,4)5)25-20(24)16(2)19(15)27-29(11,12)22(6,7)8/h14-19H,13H2,1-12H3/t15-,16+,17+,18-,19-/m0/s1
• InChIKey: UDDJPACNJQKPEG-JKEDJMADSA-N
• XLogP: 5.55
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.76
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal?

The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal (CID 59891820) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal.

What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal?

The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal is C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H]1C[C@H](C=O)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal?

The InChIKey is UDDJPACNJQKPEG-JKEDJMADSA-N. The full InChI is InChI=1S/C22H44O5Si2/c1-15-18(13-17(14-23)26-28(9,10)21(3,4)5)25-20(24)16(2)19(15)27-29(11,12)22(6,7)8/h14-19H,13H2,1-12H3/t15-,16+,17+,18-,19-/m0/s1.

What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal?

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal has a molecular weight of 444.76 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal is sourced from PubChem (CID 59891820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).