(3S,4R,5S)-1,3,4,5,6-Pentahydroxyhexan-2-one is an endogenously produced metabolite.

Physicochemical Properties

Molecular Formula	C6H12O6
Molecular Weight	180.1559
Exact Mass	180.063
CAS #	87-79-6
Related CAS #	(3S,4R,5S)-1,3,4,5,6-Pentahydroxyhexan-2-one-13C;478506-34-2;(3S,4R,5S)-1,3,4,5,6-Pentahydroxyhexan-2-one-13C-1;478506-36-4;(3S,4R,5S)-1,3,4,5,6-Pentahydroxyhexan-2-one-13C-2;478506-38-6
PubChem CID	6904
Appearance	White to off-white solid powder
Density	1.6±0.1 g/cm3
Boiling Point	551.7±50.0 °C at 760 mmHg
Melting Point	158-160ºC
Flash Point	301.5±26.6 °C
Vapour Pressure	0.0±3.4 mmHg at 25°C
Index of Refraction	1.574
LogP	-1.63
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	12
Complexity	147
Defined Atom Stereocenter Count	3
SMILES	C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
InChi Key	BJHIKXHVCXFQLS-OTWZMJIISA-N
InChi Code	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+/m0/s1
Chemical Name	(3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Additional Infomation

Keto-L-sorbose is a L-sorbose. It is an enantiomer of a keto-D-sorbose. L-(-)-Sorbose has been reported in Panax ginseng and Carica papaya with data available. A ketose sugar that is commonly used in the commercial synthesis of ASCORBIC ACID. See also: L-Sorbose (annotation moved to).

Solubility Data

Solubility (In Vitro)	H2O : ~125 mg/mL (~693.83 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 50 mg/mL (277.53 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	5.5506 mL	27.7531 mL	55.5062 mL
	5 mM	1.1101 mL	5.5506 mL	11.1012 mL
	10 mM	0.5551 mL	2.7753 mL	5.5506 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.