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2,3,4,6-Tetrakis-O-Trimethylsilyl-D-Gluconolactone
CAS: 32384-65-9 | C18H42O6Si4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
32384-65-9
Molecular Formula:
C18H42O6Si4
Molecular Mass:
466.87 g/mol
Names and Synonyms:
2,3,4,6-Tetrakis-O-Trimethylsilyl-D-Gluconolactone
D-Gluconic acid, 2,3,4,6-tetrakis-O-(trimethylsilyl)-, δ-lactone
Gluconic acid, 2,3,4,6-tetrakis-O-(trimethylsilyl)-, δ-lactone, D-
2,3,4,6-Tetrakis-O-trimethylsilyl-D-gluconolactone
(3R,4S,5R,6R)-3,4,5-Tris[(trimethylsilyl)oxy]-6-[[(trimethylsilyl)oxy]methyl]tetrahydropyran-2-one
(3R,4S,5R,6R)-3,4,5-Tri[(trimethylsilyl)oxy]-6-[[(trimethylsilyl)oxy]methyl]tetrahydro-2H-pyran-2-one
(3R,4S,5R,6R)-3,4,5-Tris(trimethylsilyloxy)-6-[(trimethylsilyloxy)methyl]tetrahydro-2H-pyran-2-one
2,3,4,6-Tetra-O-(trimethylsilyl)-D-glucono-1,5-lactone
Identifiers:
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:
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 466.87 g/mol | CAS Common Chemistry |
| 466.87200000000024 g/mol | RDKit | |
| 466.205845184 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 |
| LogP | 4.423600000000004 | RDKit |
| Molar Refractivity | 123.83500000000006 | RDKit |
