(αR,2S,5R)-2,5-Dihydro-3,6-dimethoxy-α,5-bis(1-methylethyl)-2-pyrazinemethanol - CAS 1620989-93-6

Catalog:	BB067616
Product Name:	(αR,2S,5R)-2,5-Dihydro-3,6-dimethoxy-α,5-bis(1-methylethyl)-2-pyrazinemethanol
CAS:	1620989-93-6
Synonyms:	(1R)-1-[(5R)-3,6-Dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol; (alphaR,2S,5R)-2,5-Dihydro-3,6-dimethoxy-alpha,5-bis(1-methylethyl)-2-pyrazinemethanol

Technical Data

IUPAC Name:	(1R)-1-[(5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol
Description:	(αR,2S,5R)-2,5-Dihydro-3,6-dimethoxy-α,5-bis(1-methylethyl)-2-pyrazinemethanol is an intermediate in the synthesis of (2S,3R)-β-Hydroxyleucine Hydrochloride (H943745), inhibitor of the growth of gram-positive and gram-negative bacteria and yeasts.
Molecular Weight:	256.34
Molecular Formula:	C13H24N2O3
Canonical SMILES:	CC(C)C1C(=NC(C(=N1)OC)C(C(C)C)O)OC
InChI:	InChI=1S/C13H24N2O3/c1-7(2)9-12(17-5)15-10(11(16)8(3)4)13(14-9)18-6/h7-11,16H,1-6H3/t9-,10?,11-/m1/s1
InChI Key:	PPKSSMVAXBTELE-GLYLRITDSA-N
Solubility:	Chloroform, DCM, Ethyl Acetate, Methanol
Appearance:	Light Yellow Viscous Oil
References:	Luo, S.W., et al. J. Natural. Prod., 77, 1871 (2014).

Complexity:	337
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	256.17869263
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	256.17869263
Rotatable Bond Count:	5
Topological Polar Surface Area:	63.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1