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IPTG – non animal origin

CAT: 0926-EI05931-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-EI05931-01Size:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
367-93-1
Synonyms
IPTG; Isopropyl beta-D-thiogalactopyranoside (non-animal origin)
MDL Number
MFCD00063273
Smiles
CC (C) S[C@H]1[C@@H] ([C@H] ([C@H] ([C@H] (O1) CO) O) O) O
Molecular Formula
C9H18O5S
Molecular Weight
238.3 g/mol
Controlled
No

Chemical Information

isopropyl beta-D-thiogalactopyranoside

Isopropyl beta-D-thiogalactopyranoside is an S-glycosyl compound consisting of beta-D-1-thiogalactose having an isopropyl group attached to the anomeric sulfur.

CAS Number367-93-1
PubChem CID656894
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
Molecular FormulaC9H18O5S
Molecular Weight238.30
XLogP-0.5
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity201
SMILES
CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
InChIKey
BPHPUYQFMNQIOC-NXRLNHOXSA-N
Chemical Structure
2D Structure
2D structure of isopropyl beta-D-thiogalactopyranoside
CAS: 367-93-1
CID: 656894
Formula: C9H18O5S
MW: 238.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.30
XLogP3-0.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass238.08749484
Monoisotopic Mass238.08749484
Topological Polar Surface Area115 Ų
Heavy Atom Count15
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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