Input interpretation
sucrose | 4-O-acetyl-3, 6-di-O-(tert-butyldimethylsilyl)-D-glucal
Chemical names and formulas
![| sucrose | 4-O-acetyl-3, 6-di-O-(tert-butyldimethylsilyl)-D-glucal formula | C_12H_22O_11 | C_20H_40O_5Si_2 Hill formula | C_12H_22O_11 | C_20H_40O_5Si_2 name | sucrose | 4-O-acetyl-3, 6-di-O-(tert-butyldimethylsilyl)-D-glucal IUPAC name | (2R, 3S, 4S, 5S, 6R)-2-[(2S, 3S, 4S, 5R)-3, 4-dihydroxy-2, 5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3, 4, 5-triol | acetic acid [(2R, 3R, 4R)-4-(tert-butyl-dimethylsilyl)oxy-2-[(tert-butyl-dimethylsilyl)oxymethyl]-3, 4-dihydro-2H-pyran-3-yl] ester alternate names | beet sugar | cane sugar | saccharose | table sugar | [(2R, 3R, 4R)-4-(tert-butyl-dimethyl-silyl)oxy-2-[(tert-butyl-dimethyl-silyl)oxymethyl]-3, 4-dihydro-2H-pyran-3-yl] acetate | [(2R, 3R, 4R)-4-(tert-butyl-dimethylsilyl)oxy-2-[(tert-butyl-dimethylsilyl)oxymethyl]-3, 4-dihydro-2H-pyran-3-yl] acetate | [(2R, 3R, 4R)-4-(tert-butyl-dimethyl-silyl)oxy-2-[(tert-butyl-dimethyl-silyl)oxymethyl]-3, 4-dihydro-2H-pyran-3-yl] ethanoate | acetic acid [(2R, 3R, 4R)-4-(tert-butyl-dimethyl-silyl)oxy-2-[(tert-butyl-dimethyl-silyl)oxymethyl]-3, 4-dihydro-2H-pyran-3-yl] ester mass fractions | C (carbon) 42.1% | H (hydrogen) 6.48% | O (oxygen) 51.4% | C (carbon) 57.6% | H (hydrogen) 9.68% | O (oxygen) 19.2% | Si (silicon) 13.5%](../image_source/c2757f5505a78e4f9e1c19721dae6515.png)
| sucrose | 4-O-acetyl-3, 6-di-O-(tert-butyldimethylsilyl)-D-glucal formula | C_12H_22O_11 | C_20H_40O_5Si_2 Hill formula | C_12H_22O_11 | C_20H_40O_5Si_2 name | sucrose | 4-O-acetyl-3, 6-di-O-(tert-butyldimethylsilyl)-D-glucal IUPAC name | (2R, 3S, 4S, 5S, 6R)-2-[(2S, 3S, 4S, 5R)-3, 4-dihydroxy-2, 5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3, 4, 5-triol | acetic acid [(2R, 3R, 4R)-4-(tert-butyl-dimethylsilyl)oxy-2-[(tert-butyl-dimethylsilyl)oxymethyl]-3, 4-dihydro-2H-pyran-3-yl] ester alternate names | beet sugar | cane sugar | saccharose | table sugar | [(2R, 3R, 4R)-4-(tert-butyl-dimethyl-silyl)oxy-2-[(tert-butyl-dimethyl-silyl)oxymethyl]-3, 4-dihydro-2H-pyran-3-yl] acetate | [(2R, 3R, 4R)-4-(tert-butyl-dimethylsilyl)oxy-2-[(tert-butyl-dimethylsilyl)oxymethyl]-3, 4-dihydro-2H-pyran-3-yl] acetate | [(2R, 3R, 4R)-4-(tert-butyl-dimethyl-silyl)oxy-2-[(tert-butyl-dimethyl-silyl)oxymethyl]-3, 4-dihydro-2H-pyran-3-yl] ethanoate | acetic acid [(2R, 3R, 4R)-4-(tert-butyl-dimethyl-silyl)oxy-2-[(tert-butyl-dimethyl-silyl)oxymethyl]-3, 4-dihydro-2H-pyran-3-yl] ester mass fractions | C (carbon) 42.1% | H (hydrogen) 6.48% | O (oxygen) 51.4% | C (carbon) 57.6% | H (hydrogen) 9.68% | O (oxygen) 19.2% | Si (silicon) 13.5%
Structure diagrams
| sucrose | 4-O-acetyl-3, 6-di-O-(tert-butyldimethylsilyl)-D-glucal vertex count | 23 | 27 edge count | 32 | 27 Schultz index | 4473 | 7041 Wiener index | 1110 | 1834 Hosoya index | 40445 | 85514 Balaban index | 2.177 | 2.942
3D structure
3D structure
Basic properties
| sucrose | 4-O-acetyl-3, 6-di-O-(tert-butyldimethylsilyl)-D-glucal molar mass | 342.3 g/mol | 416.7 g/mol phase | solid (at STP) | liquid (at STP) melting point | 170 °C | boiling point | | 324 °C density | 1.59 g/cm^3 | 0.968 g/cm^3
Units
Hydrophobicity and permeability properties
| sucrose experimental LogP hydrophobicity | -3.7 predicted LogP hydrophobicity | -2.63 predicted LogS | 0.38 experimental Caco-2 permeability | -5.77
Liquid properties
| 4-O-acetyl-3, 6-di-O-(tert-butyldimethylsilyl)-D-glucal density | 0.968 g/cm^3 refractive index | 1.456
Units
Thermodynamic properties
| sucrose specific heat of vaporization | 0.3409 kJ/g (kilojoules per gram)
Solid properties
| sucrose density | 1.59 g/cm^3 vapor pressure | 2×10^-22 mmHg refractive index | 1.5376
Units
Chemical identifiers
(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C](../image_source/4153b394be75672e34b6686d897bf2f7.png)
| sucrose | 4-O-acetyl-3, 6-di-O-(tert-butyldimethylsilyl)-D-glucal CAS number | 57-50-1 | 132891-79-3 Beilstein number | 90825 | PubChem CID number | 7566553 | 14861341 PubChem SID number | 3389 | 24870830 SMILES identifier | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O | CC(=O)OC1C(C=COC1CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C