L-[6-13C]sorbose

CAT: 0024-sc-295235ASize: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-295235ASize:500 mg

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CAS Number

478506-38-6

Chemical Information

2-(Hydroxymethyl)Oxane-2,3,4,5-Tetrol

hex-2-ulopyranose has been reported in Apium graveolens with data available.

CAS Number	478506-38-6
PubChem CID	3426
IUPAC Name	2-(hydroxymethyl)oxane-2,3,4,5-tetrol
Molecular Formula	C6H12O6
Molecular Weight	180.16
XLogP	-2.8
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	162

SMILES

C1C(C(C(C(O1)(CO)O)O)O)O

InChI

InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2

InChIKey

LKDRXBCSQODPBY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 478506-38-6

CID: 3426

Formula: C6H12O6

MW: 180.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.16
XLogP3	-2.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	180.06338810
Monoisotopic Mass	180.06338810
Topological Polar Surface Area	110 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	162
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-295231A	L-[4-13C]sorbose
sc-295232A	L-[5-13C]sorbose
sc-295231	L-[4-13C]sorbose
sc-295232	L-[5-13C]sorbose
sc-203100	L (-) Sorbose
sc-295234A	L-[6-13C]fucose
sc-488064	L-Idose-6-13C
sc-295234	L-[6-13C]fucose
sc-213965	2,3-O-Isopropylidene-1,6-ditosyl-L-sorbose
sc-218007A	D- (+) -Sorbose