AG003DZ5

79337-40-9 | 1-Benzyl D-Aspartate

AG003DZ5

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CAS Number	79337-40-9
Catalog Number	AG003DZ5(AGN-PC-0OI89K)
Chemical Name	1-Benzyl D-Aspartate
IUPAC Name	(3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid
InChI	InChI=1S/C11H13NO4/c12-9(6-10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m1/s1
InChI Key	NJSRYBIBUXBNSW-SECBINFHSA-N
MDL Number	MFCD00037289
Molecular Formula	C11H13NO4
Molecular Weight	223.2252
SMILES	N[C@H](CC(O)=O)C(OCC1=CC=CC=C1)=O
Synonyms	1-Benzyl D-Aspartate, 79337-40-9, D-Aspartic acid alpha-benzyl ester, (3R)-3-amino-4-oxo-4-phenylmethoxybutanoic acid, AK-44085, AC1ODX0N, D-Aspartic acid |A-benzyl ester, D-Aspartic Acid 1-Benzyl Ester, DTXSID40426407, CS-M3636, KS-00000JO0, ZINC1731793, KM1967, MFCD00037289, D-Aspartic acid, 1-(phenylmethyl) ester, B2993, ST24035260, V1204, (R)-3-amino-4-(benzyloxy)-4-oxobutanoic acid, H-D-Asp-OBzl, H-Asp-OBzl, 1-BENZYLD-ASPARTATE, C11H13NO4, (R)-2-(Benzylamino)succinic acid, 6367-42-6, NSC186918, CID6995008, A7121, 7362-93-8,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	223.084g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	223.228g/mol
Monoisotopic Mass	223.084g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	89.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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