D-Glucose-1-13C

CAT: 0024-sc-490392ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-490392ASize:1 g

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CAS Number

40762-22-9

Chemical Information

D-Glucose-1-13C

CAS Number	40762-22-9
PubChem CID	12285878
IUPAC Name	(3R,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrol
Molecular Formula	C6H12O6
Molecular Weight	181.15
XLogP	-2.6
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	151

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([13CH](O1)O)O)O)O)O

InChI

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6+1

InChIKey

WQZGKKKJIJFFOK-USBRANDWSA-N

Chemical Structure

2D Structure

CAS: 40762-22-9

CID: 12285878

Formula: C6H12O6

MW: 181.15

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	181.15
XLogP3	-2.6
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	151
Isotope Atom Count	1
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes