D-tagatose

CAS	87-81-0
Structure
Synonyms	D-Lyxo-2-hexulose
IUPAC Name	(3S,4S,5R)-1,3,4,5,6-Pentahydroxyhexan-2-one
Molecular Weight	180.16
Molecular Formula	C6H12O6
Canonical SMILES	C(C(C(C(C(=O)CO)O)O)O)O
InChI	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1
InChI Key	BJHIKXHVCXFQLS-PQLUHFTBSA-N
Boiling Point	232.96 °C
Melting Point	130-136 °C
Flash Point	301.5 °C
Purity	98%
Density	1.2805 g/cm³
Appearance	White crystalline powder
Storage	Refrigerator
Exact Mass	180.06338810
Isomeric SMILES	C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O
Monoisotopic Mass	180.06338810
Physical State	Neat
Storage Conditions	Refrigerator
Topological Polar Surface Area	118 Ų