AG005969

75946-25-7 | L-Beta-homomethionine, HCl

AG005969

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CAS Number	75946-25-7
Catalog Number	AG005969(AGN-PC-0OHQHC)
Chemical Name	L-Beta-homomethionine, HCl
IUPAC Name	(3R)-3-amino-5-methylsulfanylpentanoic acid
InChI	InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChI Key	QWVNCDVONVDGDV-YFKPBYRVSA-N
MDL Number	MFCD28387584
Molecular Formula	C6H13NO2S
Molecular Weight	163.2379
SMILES	O=C(O)C[C@@H](N)CCSC
Synonyms	(R)-3-Amino-5-(methylthio)pentanoic acid, L-beta-homomethionine, 75946-25-7, (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, AK486956, beta-L-homomethionine, AC1NWJCZ, SCHEMBL13254782, KS-00000JOC, CHEBI:136681, 1217975-36-4, ZINC2386818, AKOS027430398, DS-3437, FCH3464855, L - beta - Homomethionine hydrochloride, (3R)-3-amino-5-methylsulfanylpentanoic acid, (R)-3-[2-(Methylthio)ethyl]-beta-alanine, CS-0062044, (3S)-3-amino-5-(methylthio)pentanoic acid hydrochloride, (S)-3-Amino-5-methylsulfanyl-pentanoic acid hydrochloride, L-beta-Homomethionine hydrochloride,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	163.067g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	163.235g/mol
Monoisotopic Mass	163.067g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	88.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number