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Chemical structure of (3S,4S,5R)-1,3,4,5,6-Pentahydroxyhexan-2-one

GC38283

(3S,4S,5R)-1,3,4,5,6-Pentahydroxyhexan-2-one

Also known as (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one

(3S,4S,5R)-1,3,4,5,6-Pentahydroxyhexan-2-one (D-(-)-Tagatose) is a rare monosaccharide found in nature with prebiotic characteristics

ChemicalCAS87-81-0MW180.16FormulaC6H12O6
CAS number
87-81-0
Molecular weight
180.16
Formula
C6H12O6
Solubility
DMSO： 125 mg/mL (693·83 mM)
InChIKey
BJHIKXHVCXFQLS-PQLUHFTBSA-N
Catalogue number
GC38283
Brand
GLPBIO
Computed properties PubChem CID 92092 · XLogP -3.2 · TPSA 118 Ų · H-bond donors 5
XLogP
-3.2
TPSA
118 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
12

SMILES C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O

Computed descriptors from PubChem (CID 92092), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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