Input interpretation
D-allose
Chemical names and formulas
formula | C_6H_12O_6 name | D-allose IUPAC name | (2R, 3R, 4R, 5S, 6R)-6-(hydroxymethyl)tetrahydropyran-2, 3, 4, 5-tetrol alternate names | (2R, 3R, 4R, 5S, 6R)-6-(hydroxymethyl)oxane-2, 3, 4, 5-tetrol | (2R, 3R, 4R, 5S, 6R)-6-(hydroxymethyl)tetrahydropyran-2, 3, 4, 5-tetrol | (2R, 3R, 4R, 5S, 6R)-6-methyloltetrahydropyran-2, 3, 4, 5-tetrol | All | allose | β-D-allopyranose | β-D-allose mass fractions | C (carbon) 40% | H (hydrogen) 6.71% | O (oxygen) 53.3%
Lewis structure
Draw the Lewis structure of D-allose. Start by drawing the overall structure of the molecule: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), and oxygen (n_O, val = 6) atoms: 6 n_C, val + 12 n_H, val + 6 n_O, val = 72 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), and oxygen (n_O, full = 8): 6 n_C, full + 12 n_H, full + 6 n_O, full = 120 Subtracting these two numbers shows that 120 - 72 = 48 bonding electrons are needed. Each bond has two electrons, so the above diagram has all the necessary bonds. There are 24 bonds and hence 48 bonding electrons in the diagram. Lastly, fill in the remaining unbonded electrons on each atom. In total, there remain 72 - 48 = 24 electrons left to draw: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 180.16 g/mol phase | solid (at STP) melting point | 149 °C boiling point | 376 °C solubility in water | very soluble
Units
Hydrophobicity and permeability properties
predicted LogP hydrophobicity | -2.57 predicted LogS | 0.64
Basic drug properties
approval status | experimental | small molecule
Thermodynamic properties
specific heat capacity c_p | gas | 0.1998 J/(g K) molar heat capacity c_p | gas | 36 J/(mol K) specific heat of formation Δ_fH° | gas | 0.3636 kJ/g molar heat of formation Δ_fH° | gas | 65.5 kJ/mol (at STP)
Chemical identifiers
CAS number | 2595-97-3 Beilstein number | 1724623 PubChem CID number | 448388 PubChem SID number | 24857188 SMILES identifier | C(C1C(C(C(C(O1)O)O)O)O)O InChI identifier | InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H, 1H2/t2-, 3-, 4-, 5-, 6-/m1/s1 InChI key | WQZGKKKJIJFFOK-UHFFFAOYAC MDL number | MFCD00063268