(2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde

C31H64O6Si3 — CID 10841516

About (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde

(2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde (PubChem CID 10841516) has the molecular formula C31H64O6Si3 and a molecular weight of 617.11 g/mol. Its IUPAC name is (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde.

Molecular Properties

• Compound Name: (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde
• PubChem CID: 10841516
• Molecular Formula: C31H64O6Si3
• Molecular Weight: 617.11 g/mol
• Exact Mass: 616.40
• IUPAC Name: (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde
• SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](CC)(CC)CC)CO[C@@H](C=O)[C@@H]1O[Si](CC)(CC)CC
• InChI: InChI=1S/C31H64O6Si3/c1-12-38(13-2,14-3)35-25(11)24(10)29-27(34-29)21-26-23-33-28(22-32)31(37-40(18-7,19-8)20-9)30(26)36-39(15-4,16-5)17-6/h22,24-31H,12-21,23H2,1-11H3/t24-,25-,26-,27-,28-,29-,30+,31-/m0/s1
• InChIKey: CYXPMCWVMUERFW-LHVSEXAWSA-N
• XLogP: 8.19
• TPSA: 66.52 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.11
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde?

The IUPAC name of (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde (CID 10841516) is (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde.

What is the SMILES notation for (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde?

The canonical SMILES for (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde is CC[Si](CC)(CC)O[C@@H]1[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](CC)(CC)CC)CO[C@@H](C=O)[C@@H]1O[Si](CC)(CC)CC.

What is the InChIKey of (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde?

The InChIKey is CYXPMCWVMUERFW-LHVSEXAWSA-N. The full InChI is InChI=1S/C31H64O6Si3/c1-12-38(13-2,14-3)35-25(11)24(10)29-27(34-29)21-26-23-33-28(22-32)31(37-40(18-7,19-8)20-9)30(26)36-39(15-4,16-5)17-6/h22,24-31H,12-21,23H2,1-11H3/t24-,25-,26-,27-,28-,29-,30+,31-/m0/s1.

What are the key properties of (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde?

(2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde has a molecular weight of 617.11 g/mol, XLogP of 8.19, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxane-2-carbaldehyde is sourced from PubChem (CID 10841516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).