AG000UWC

13073-35-3 | L-​Homocysteine, S-​ethyl-

AG000UWC

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CAS Number	13073-35-3
Catalog Number	AG000UWC(AGN-PC-0O0YLJ)
Chemical Name	L-​Homocysteine, S-​ethyl-
EC Number	235-966-4
IUPAC Name	(2S)-2-amino-4-ethylsulfanylbutanoic acid
InChI	InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChI Key	GGLZPLKKBSSKCX-YFKPBYRVSA-N
MDL Number	MFCD00002626
Molecular Formula	C6H13NO2S
Molecular Weight	163.2379
SMILES	[C@H](CCSCC)(C(=O)O)N
UNII	WX1BN24WZT
Synonyms	Ethionine, L-Ethionine, Ethionine, 13073-35-3, S-Ethyl-L-homocysteine, L-Homocysteine, S-ethyl-, L-S-Ethylhomocysteine, (S)-2-amino-4-(ethylthio)butanoic acid, Homocysteine, S-ethyl-, Ethionine (VAN), L-2-Amino-4-(ethylthio)butyric acid, UNII-WX1BN24WZT, (L)-Ethionine, (+)-ethionine, NSC 82393, C6H13NO2S, CCRIS 289, HSDB 5080, Butyric acid, 2-amino-4-(ethylthio)-, L-, EINECS 235-966-4, WX1BN24WZT, Butanoic acid, 2-amino-4-(ethylthio)-, (S)-, BRN 1722528, (+)-S-ethyl-L-homocysteine, CHEBI:4886, CHEMBL203187, Butyric acid, 2-amino-4-(ethylene)-, L-, MFCD00002626, L-2-amino-4-(ethylthio)butanoic acid, (2S)-2-amino-4-ethylsulfanylbutanoic acid, (2S)-2-amino-4-(ethylsulfanyl)butanoic acid, 2-AMINO-4-ETHYL SULFANYL BUTYRIC ACID, L-2-Amino-4-[ethylthio]butyric acid, (.+-.)-Ethionine, 4-04-00-03194 (Beilstein Handbook Reference), NSC-97927, L-Ethionine, 98%, AC1Q5QMR, SCHEMBL8967, NCIStruc1_000100, NCIStruc2_000170, KSC353O0T, AC1L19I9, DTXSID5020578, CTK2F3709, GGLZPLKKBSSKCX-YFKPBYRVSA-N, L-Ethionine, >=99% (TLC), NCI97927, ZINC1532201, ANW-19224, BDBM50179693, CCG-36221, NCGC00014018, LS-7379, RTR-004198, NCGC00014018-02, NCGC00097127-01, AJ-26761, 2-Amino-4-(ethylthio)butyric acid, (L)-, TR-004198, (2S)-2-amino-4-ethylsulfanyl-butanoic acid, (L)-Butyric acid, 2-amino-4-(ethylthio)-, E0039, FT-0668059, C11227, J-005868, I14-18058, UNII-92AK1Y27MZ component GGLZPLKKBSSKCX-YFKPBYRVSA-N, L-2- degrees +/->>u-4-(OOAo>>u) paragraph sign inverted exclamation markEa, 55-17-4, ethionicacid, S-ethylhomocysteine, C6-H13-N-O2-S, CID25674, D005001, 67-21-0, eth, 461-42-7,

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	-1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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