D-tagatopyranose
C₆H₁₂O₆·180.160 g/mol·CID 439312
IUPAC: (3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
Also known as: lyxo-Hexulose, tagatopyranose, Tagatopyranoside, D-Tagatopyranoside, D-Lyxo-Hex-2-ulo-Pyranose (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
180.160g/mol
Exact Mass
180.063388Da
Monoisotopic Mass
180.063388Da
XLogP
-2.8
Polar Surface Area
110.0Ų
Complexity
162
Formal Charge
0
H-Bond Donors
5
H-Bond Acceptors
6
Rotatable Bonds
1
Heavy Atoms
12
Stereo Centers
3
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 180.2 g/mol
MW ≤ 500
✓ -2.8
LogP ≤ 5
✓ 5
H-bond donors ≤ 5
✓ 6
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m1/s1
Isomers8 compounds with formula C₆H₁₂O₆
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 5793 · 180.2 g/mol
(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 2723872 · 180.2 g/mol
(3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6036 · 180.2 g/mol
cyclohexane-1,2,3,4,5,6-hexol
CID 892 · 180.2 g/mol
6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 206 · 180.2 g/mol
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 64689 · 180.2 g/mol
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 439709 · 180.2 g/mol
(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 24310 · 180.2 g/mol