β-Chloralose

CAT: 0024-sc-229689Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-229689Size:25 g

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CAS Number

16376-36-6

Chemical Information

1,2-O-((1S)-2,2,2-Trichloroethylidene)-alpha-D-glucofuranose

CAS Number	16376-36-6
PubChem CID	5284343
IUPAC Name	(1R)-1-[(2S,3aR,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
Molecular Formula	C8H11Cl3O6
Molecular Weight	309.5
XLogP	1
Topological Polar Surface Area	88.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	285

SMILES

C([C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)O[C@H](O2)C(Cl)(Cl)Cl)O)O)O

InChI

InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7+/m1/s1

InChIKey

OJYGBLRPYBAHRT-GVUNPQSCSA-N

Chemical Structure

2D Structure

CAS: 16376-36-6

CID: 5284343

Formula: C8H11Cl3O6

MW: 309.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.5
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	307.962121
Monoisotopic Mass	307.962121
Topological Polar Surface Area	88.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	285
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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
HY-B1020	Chloralose
08001-92	α-Chloralose
292882-01	A-Chloralose
442611-01	Beta-Chloralose
OR72526	Alpha-Chloralose
267768-01	B-Chloralose
11975	A-Chloralose pure, 98%
34621612-100g	Alpha-Chloralose 98%
TRC-A576005-2.5G	a-Chloralose ("may contain up to xx % of beta anomer")
046665-01	α-Chloralose [ (2,2,2-Trichloroethylidene) α-D-Glucofuranose]