(3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one

C24H56O7Si5 — CID 158798622

About (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one

(3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one (PubChem CID 158798622) has the molecular formula C24H56O7Si5 and a molecular weight of 597.14 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one.

Molecular Properties

• Compound Name: (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
• PubChem CID: 158798622
• Molecular Formula: C24H56O7Si5
• Molecular Weight: 597.14 g/mol
• Exact Mass: 596.29
• IUPAC Name: (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
• SMILES: CC(C)(C)[Si](C)(C)O[C@@]1(CO[Si](C)(C)C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
• InChI: InChI=1S/C24H56O7Si5/c1-23(2,3)36(16,17)31-24(18-26-32(4,5)6)21(30-35(13,14)15)19(28-33(7,8)9)20(22(25)27-24)29-34(10,11)12/h19-21H,18H2,1-17H3/t19-,20-,21-,24-/m1/s1
• InChIKey: ITEMVIBHSTWPDS-GECPAALWSA-N
• XLogP: 6.77
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.14
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?

The IUPAC name of (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one (CID 158798622) is (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one.

What is the SMILES notation for (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?

The canonical SMILES for (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one is CC(C)(C)[Si](C)(C)O[C@@]1(CO[Si](C)(C)C)OC(=O)[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 (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?

The InChIKey is ITEMVIBHSTWPDS-GECPAALWSA-N. The full InChI is InChI=1S/C24H56O7Si5/c1-23(2,3)36(16,17)31-24(18-26-32(4,5)6)21(30-35(13,14)15)19(28-33(7,8)9)20(22(25)27-24)29-34(10,11)12/h19-21H,18H2,1-17H3/t19-,20-,21-,24-/m1/s1.

What are the key properties of (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?

(3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one has a molecular weight of 597.14 g/mol, XLogP of 6.77, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one is sourced from PubChem (CID 158798622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).