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IPTG hemidioxane

CAT: 0013-GTR19246340-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19246340-02Size:250 mg
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Description
IPTG hemidioxane is a reagent used in biochemical reactions.
CAS Number
1330286-44-6
Smiles
C1COCCO1.CC (C) S[C@@H]1O[C@H] (CO) [C@H] (O) [C@H] (O) [C@H]1O.CC (C) S[C@@H]1O[C@H] (CO) [C@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C9H18O5S.1/2C4H8O2
Molecular Weight
326.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isopropyl-b-D-thiogalactopyranoside, dioxane
CAS Number1330286-44-6
PubChem CID56832354
IUPAC Name1,4-dioxane;bis((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol)
Molecular FormulaC22H44O12S2
Molecular Weight564.7
Topological Polar Surface Area249
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity227
SMILES
CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O.CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O.C1COCCO1
InChI
InChI=1S/2C9H18O5S.C4H8O2/c2*1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9;1-2-6-4-3-5-1/h2*4-13H,3H2,1-2H3;1-4H2/t2*5-,6+,7+,8-,9+;/m11./s1
InChIKey
RIUMJNCJAWLIHU-ADRDRVNCSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl-b-D-thiogalactopyranoside, dioxane
CAS: 1330286-44-6
CID: 56832354
Formula: C22H44O12S2
MW: 564.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass564.22741918
Monoisotopic Mass564.22741918
Topological Polar Surface Area249 Ų
Heavy Atom Count36
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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