chempirical

D-Tagatose

C6H12O6CAS 87-81-0180.16 g/mol

Open in Covalent MOL file
OHOOHOHOHOH
AlcoholKetone

Properties

Molecular formula
C6H12O6
Molar mass
180.16 g/mol
Exact mass
180.0634 Da
Melting point
134.5 °C
logP
-3.38Crippen estimate
Polar surface area
118.2 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5
Stereocentres
S, S, Rin SMILES atom order

Identifiers

CAS number
87-81-0
SMILES
O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIKey
BJHIKXHVCXFQLS-PQLUHFTBSA-N
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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Tagatose, D-
  • D-Lyxo-2-Hexulose

Work with D-Tagatose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

D-Sorbose3615-56-3100 % similar Psicose551-68-8100 % similar Fructose57-48-7100 % similar L-Fructose7776-48-9100 % similar Sorbose87-79-6100 % similar Ribulose488-84-675 % similar D-Xylulose551-84-875 % similar Isomaltulose13718-94-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

L-Mannose10030-80-5 D-Galactopyranose10257-28-0 L-Galactose15572-79-9 Altrose1990-29-0 L-Talose23567-25-1 Allose2595-97-3 Talose2595-98-4 Mannose3458-28-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook