[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate

C32H68O7Si3 — CID 91733360

About [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate

[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate (PubChem CID 91733360) has the molecular formula C32H68O7Si3 and a molecular weight of 649.15 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate
• PubChem CID: 91733360
• Molecular Formula: C32H68O7Si3
• Molecular Weight: 649.15 g/mol
• Exact Mass: 648.43
• IUPAC Name: [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate
• SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](OC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
• InChI: InChI=1S/C32H68O7Si3/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(33)35-26-27-29(37-40(3,4)5)30(38-41(6,7)8)31(32(34-2)36-27)39-42(9,10)11/h27,29-32H,12-26H2,1-11H3/t27-,29-,30+,31-,32+/m1/s1
• InChIKey: CNZXTQVJRCAXKG-ICLVLUFYSA-N
• XLogP: 9.04
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 23
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.15
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate?

The IUPAC name of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate (CID 91733360) is [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate.

What is the SMILES notation for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate?

The canonical SMILES for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](OC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.

What is the InChIKey of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate?

The InChIKey is CNZXTQVJRCAXKG-ICLVLUFYSA-N. The full InChI is InChI=1S/C32H68O7Si3/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(33)35-26-27-29(37-40(3,4)5)30(38-41(6,7)8)31(32(34-2)36-27)39-42(9,10)11/h27,29-32H,12-26H2,1-11H3/t27-,29-,30+,31-,32+/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate?

[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate has a molecular weight of 649.15 g/mol, XLogP of 9.04, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hexadecanoate is sourced from PubChem (CID 91733360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).