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Molecule
2,3,4,6-Tetrakis-O-Trimethylsilyl-D-Gluconolactone
CAS: 32384-65-9 · C18H42O6Si4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 32384-65-9
- Molecular Formula
- C18H42O6Si4
- Molecular Mass
- 466.87 g/mol
Identifiers
CAS Registry Number
32384-65-9
SMILES
C[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChI Key
VNGTZLYNGGLPIZ-WCXIOVBPSA-N
InChI
InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1
Names and Synonyms
- 2,3,4,6-Tetrakis-O-Trimethylsilyl-D-Gluconolactone Systematic Name
- D-Gluconic acid, 2,3,4,6-tetrakis-O-(trimethylsilyl)-, δ-lactone Synonym
- Gluconic acid, 2,3,4,6-tetrakis-O-(trimethylsilyl)-, δ-lactone, D- Synonym
- 2,3,4,6-Tetrakis-O-trimethylsilyl-D-gluconolactone Synonym
- (3R,4S,5R,6R)-3,4,5-Tris[(trimethylsilyl)oxy]-6-[[(trimethylsilyl)oxy]methyl]tetrahydropyran-2-one Synonym
- (3R,4S,5R,6R)-3,4,5-Tri[(trimethylsilyl)oxy]-6-[[(trimethylsilyl)oxy]methyl]tetrahydro-2H-pyran-2-one Synonym
- (3R,4S,5R,6R)-3,4,5-Tris(trimethylsilyloxy)-6-[(trimethylsilyloxy)methyl]tetrahydro-2H-pyran-2-one Synonym
- 2,3,4,6-Tetra-O-(trimethylsilyl)-D-glucono-1,5-lactone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 466.87 g/mol | CAS Common Chemistry |
| 466.87200000000024 g/mol | RDKit | |
| 466.872 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VNGTZLYNGGLPIZ-WCXIOVBPSA-N | CAS Common Chemistry |
| Name | 2,3,4,6-Tetrakis-O-trimethylsilyl-D-gluconolactone | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.22000000000001 Ų | RDKit |
| 63.22 Ų | RDKit | |
| LogP | 4.423600000000004 | RDKit |
| 4.4236 | RDKit | |
| Molar Refractivity | 123.83500000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9444 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 466.205845184 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 466.87 g/mol. Edit any field — others recompute live.
