5-Thio-D-glucose

CAT: 0024-sc-221044Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-221044Size:1 g

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CAS Number

20408-97-3

Chemical Information

Thioglucose

RN given refers to 5-thio-D-glucose

CAS Number	20408-97-3
PubChem CID	88527
IUPAC Name	(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal
Molecular Formula	C6H12O5S
Molecular Weight	196.22
XLogP	-2
Topological Polar Surface Area	99
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	142

SMILES

C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)S)O

InChI

InChI=1S/C6H12O5S/c7-1-3(9)5(10)6(11)4(12)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1

InChIKey

IJJLRUSZMLMXCN-SLPGGIOYSA-N

Chemical Structure

2D Structure

CAS: 20408-97-3

CID: 88527

Formula: C6H12O5S

MW: 196.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.22
XLogP3	-2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	196.04054465
Monoisotopic Mass	196.04054465
Topological Polar Surface Area	99 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	142
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-205567	1-Thio-β-D-glucose tetraacetate
sc-205567A	1-Thio-β-D-glucose tetraacetate
sc-216128A	1-Thio-β-D-glucose sodium salt
sc-471837	1-Thio-β-D-glucose 1-Benzenesulfenothioate
sc-216128	1-Thio-β-D-glucose sodium salt
sc-294214	D-[5-2H]glucose
sc-294214A	D-[5-2H]glucose
sc-294211A	D-[5-13C]glucose
sc-294211	D-[5-13C]glucose
sc-294187	D-[2,5-13C2]glucose

Catalog	Name
161986	5-Thio-D-glucose
TBI1398-100MG	5-Thio-D-Glucose, Glucose transport inhibitor
HY-115419-01	1-Thio-β-D-glucose (sodium)
GTR19190743-01	1-thio-β-D-Glucose Tetraacetate
MT04378-01	5-Thio-D-glucose-6-phosphate diammonium salt
MBS5798224	1-thio-beta-D-Glucose Tetraacetate
T11015	1-Thio-D-Glucose Sodium Salt
GTR19190462-01	1-thio-β-D-Glucose (sodium salt)
021767	1-Thio-β-D-glucose 1-Benzenesulfenothioate
GTR19247540-01	4-S-β-D-Glucopyranosyl-4-thio-D-glucose