3DMET: B04929

Universal description

 
Entry B04929
Name 6-deoxy-D-galactose; D-fucose
Formula C6H12O5
Weight 164.156
Canonical SMILES C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChI 1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1
KEGG C01018
 

2D and 3D-structures/descriptors

 
2D-Structure

3D-structure (visualized by JSmol)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 164.157
LogP(o/w) -1.897
SlogP -2.1938
LogS 0.7202
SMR 3.45742
TPSA (A2) 90.15
Number of rings 1
Number of atoms 23
   Chiral atoms 5
   H-bond acceptor 5
   H-bond donor 4
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 11
Number of bonds 23
   Single bonds 23
   Rotatable single bonds 0
   Double bonds 0
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 142.375
ASA (A2) 319.878
VSA (A2) 171.574
Density 1.15299
Diameter 5
Dipole (debye) 0.563804
Globularity 0.203392
Potential energy (kcal/mol) 37.5267
   angle bend energy 2.04639
   electrostatic energy 8.43412
   non-bond energy 22.4299
   out-of-plane energy 0
   solvation energy -15.1047
   bond stretch-bend energy 0.368343
   torsion energy 11.3046
   Van del Waals energy 13.9958