AG003SON

54831-20-8 | N-Acetyl-D-allo-isoleucine

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CAS Number	54831-20-8
Catalog Number	AG003SON(AGN-PC-0OC4L9)
Chemical Name	N-Acetyl-D-allo-isoleucine
IUPAC Name	(2R,3S)-2-acetamido-3-methylpentanoic acid
InChI	InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,7+/m0/s1
InChI Key	JDTWZSUNGHMMJM-CAHLUQPWSA-N
MDL Number	MFCD00136538
Molecular Formula	C8H15NO3
Molecular Weight	173.2096
SMILES	CC[C@H](C)[C@H](C(O)=O)NC(C)=O
Synonyms	N-Acetyl-D-allo-isoleucine, 54831-20-8, Acetyl-d-alloisoleucine, D-Alloisoleucine, N-acetyl-, Acetyl-D-allo-isoleucine, N-ACETYL-D-(allo)-ISOLEUCINE, (2R,3S)-2-acetamido-3-methylpentanoic acid, N-Acetyl-D-alloisoleucine, AC1OENC8, SCHEMBL7775372, KS-00000ABN, ZINC3123570, 7217AJ, MFCD00136538, AKOS006274146, AS-31834, FT-0693014, Z-3616, C8H15NO3, N-ACETYL-D- -ISOLEUCINE, NSC203805, CID7036279, 19764-31-9,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	173.105g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	173.212g/mol
Monoisotopic Mass	173.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number