(R)-2-(Hydroxymethyl)-1,4-dioxane - CAS 406913-88-0

Catalog:	BB024620
Product Name:	(R)-2-(Hydroxymethyl)-1,4-dioxane
CAS:	406913-88-0
Synonyms:	[(2R)-1,4-dioxan-2-yl]methanol; [(2R)-1,4-dioxan-2-yl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[(2R)-1,4-dioxan-2-yl]methanol
Description:	(R)-2-(Hydroxymethyl)-1,4-dioxane (CAS# 406913-88-0) is a useful research chemical.
Molecular Weight:	118.13
Molecular Formula:	C5H10O3
Canonical SMILES:	C1COC(CO1)CO
InChI:	InChI=1S/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2/t5-/m1/s1
InChI Key:	CMEPUAROFJSGJN-RXMQYKEDSA-N
Density:	1.102 g/cm³
LogP:	-0.60590

Publication Number	Title	Priority Date
WO-2021198020-A1	3-(anilino)-2-[3-(3-alkoxy-pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one derivatives as egfr inhibitors for the treatment of cancer	20200331
WO-2021122415-A1	Furoindazole derivatives	20191219
WO-2021119254-A1	Antagonists of the muscarinic acetylcholine receptor m4	20191210
WO-2021119265-A1	Antagonists of the muscarinic acetylcholine receptor m4	20191210
WO-2021080013-A1	Inhibitors of trek (twik related k+ channels) channel function	20191024

PMID	Publication Date	Title	Journal
17287124	20070401	Synthesis of dioxane-based antiviral agents and evaluation of their biological activities as inhibitors of Sindbis virus replication	Bioorganic & medicinal chemistry
15927464	20050701	Design, synthesis, and evaluation of dioxane-based antiviral agents targeted against the Sindbis virus capsid protein	Bioorganic & medicinal chemistry letters

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Complexity:	64.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	118.062994177
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	118.062994177
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9