AG000ZVT

13188-89-1 | D-Aspartic acid, 4-(phenylmethyl) ester

AG000ZVT

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CAS Number	13188-89-1
Catalog Number	AG000ZVT(AGN-PC-0O10XG)
Chemical Name	D-Aspartic acid, 4-(phenylmethyl) ester
IUPAC Name	(2R)-2-amino-4-oxo-4-phenylmethoxybutanoic acid
InChI	InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m1/s1
InChI Key	VGALFAWDSNRXJK-SECBINFHSA-N
MDL Number	MFCD00077100
Molecular Formula	C11H13NO4
Molecular Weight	223.2252
SMILES	[H][C@@](N)(CC(=O)OCC1=CC=CC=C1)C(O)=O
Synonyms	H-D-Asp(OBzl)-OH, 13188-89-1, D-Aspartic acid 4-benzyl ester, (R)-2-AMINO-4-(BENZYLOXY)-4-OXOBUTANOIC ACID, J-300064, Q-101791, AK-49351, H-D-Asp(OBn)-OH, AC1OCV0D, (2R)-2-amino-4-oxo-4-phenylmethoxybutanoic acid, SCHEMBL5898461, VGALFAWDSNRXJK-SECBINFHSA-N, ZINC402733, CH-369, MFCD00077100, (R)-2-Amino-succinicacid4-benzylester, CS-W006060, FCH2720117, AJ-21868, AS-12179, AX8018019, FT-0658882, ST24030744, X5805, (2R)-2-Aminobutanedioic acid 4-benzyl ester, K-4134, 188A891, C-54876, H-Asp(OBzl)-OH, C11H13NO4, NSC524167, CID6951056, D-Aspartic acid, 4-(phenylmethyl) ester, N-BENZYLOXYCARBONYL-L-PYROGLUTAMIC ACID, 2177-63-1,

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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