L-[5-13C]sorbose

CAT: 0024-sc-295232ASize: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-295232ASize:500 mg

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CAS Number

478506-36-4

Chemical Information

CID 90472720

CAS Number	478506-36-4
PubChem CID	90472720
IUPAC Name	(3S,4R,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
Molecular Formula	C6H12O6
Molecular Weight	181.15
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

C1[13C@@H]([C@H]([C@@H](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/t3-,4+,5-,6?/m0/s1/i3+1

InChIKey

LKDRXBCSQODPBY-VJMGYBMTSA-N

Chemical Structure

2D Structure

CAS: 478506-36-4

CID: 90472720

Formula: C6H12O6

MW: 181.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.15
XLogP3	-2.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	181.06674293
Monoisotopic Mass	181.06674293
Topological Polar Surface Area	110 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	162
Isotope Atom Count	1
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-295235	L-[6-13C]sorbose
sc-295231A	L-[4-13C]sorbose
sc-295231	L-[4-13C]sorbose
sc-295235A	L-[6-13C]sorbose
sc-203100	L (-) Sorbose
sc-295233A	L-[5-13C]xylose
sc-491080	L-Lyxose-5-13C
sc-295233	L-[5-13C]xylose
sc-363575	L-Glutamic acid-5-13C
sc-490077	L-Glutamine-5-13C,15N Hydrochloride