IPTG

Catalog	DGS367931
CAS	367-93-1
Structure
Synonyms	Isopropyl-β-D-thiogalactopyranoside
IUPAC Name	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
Molecular Weight	238.31
Molecular Formula	C9H18O5S
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
InChI Key	BPHPUYQFMNQIOC-NXRLNHOXSA-N
Melting Point	105 °C
Purity	≥99%
Solubility	Soluble in water (5%), renders clear colorless solution
Appearance	White solid
Complexity	201
Conductance	<200 μS (10% solution in water)
EC Number	206-703-0
Exact Mass	238.08749484
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Monoisotopic Mass	238.08749484
Rotatable Bond Count	3
Storage Conditions	-20 °C
Topological Polar Surface Area	115 Ų
XLogP3-AA	-0.5