(3S,4S)-4-Amino-3-methoxytetrahydropyran - CAS 1232064-61-7

Catalog:	BB005645
Product Name:	(3S,4S)-4-Amino-3-methoxytetrahydropyran
CAS:	1232064-61-7
Synonyms:	(3S,4S)-3-methoxy-4-oxanamine; (3S,4S)-3-methoxyoxan-4-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	(3S,4S)-3-methoxyoxan-4-amine
Description:	(3S,4S)-4-Amino-3-methoxytetrahydropyran (CAS# 1232064-61-7 ) is a useful research chemical.
Molecular Weight:	131.17
Molecular Formula:	C6H13NO2
Canonical SMILES:	COC1COCCC1N
InChI:	InChI=1S/C6H13NO2/c1-8-6-4-9-3-2-5(6)7/h5-6H,2-4,7H2,1H3/t5-,6+/m0/s1
InChI Key:	OHVYRLNUMZHWIK-NTSWFWBYSA-N
LogP:	0.44930

Publication Number	Title	Priority Date
EP-3554541-A1	Treatment of a disease of the gastrointestinal tract with a chemokine/chemokine receptor inhibitor	20161214
WO-2018112264-A1	Treatment of a disease of the gastrointestinal tract with a chemokine/chemokine receptor inhibitor	20161214
US-2018271831-A1	New compositions and methods of treating and/or preventing chronic obstructive pulmonary disease	20150128
US-10813911-B2	Methods of treating and/or preventing chronic obstructive pulmonary disease	20150128
EP-2945950-A1	Isomannide derivatives as inhibitors of soluble epoxide hydrolase	20130117

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Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	131.094628657
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	131.094628657
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7