AG0010DS

132201-33-3 | Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (αR,βS)-

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CAS Number	132201-33-3
Catalog Number	AG0010DS(AGN-PC-0PJODD)
Chemical Name	Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (αR,βS)-
IUPAC Name	(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid
InChI	InChI=1S/C16H15NO4/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13-14,18H,(H,17,19)(H,20,21)/t13-,14+/m0/s1
InChI Key	HYJVYOWKYPNSTK-UONOGXRCSA-N
MDL Number	MFCD00274633
Molecular Formula	C16H15NO4
Molecular Weight	285.2946
SMILES	O=C(O)[C@H](O)[C@@H](NC(C1=CC=CC=C1)=O)C2=CC=CC=C2
UNII	D998Q2WJCM
Synonyms	132201-33-3, N-Benzoyl-(2R,3S)-3-phenylisoserine, (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid, UNII-D998Q2WJCM, N-Benzoyl-3-phenylisoserine, (2R,3S)-, (2R,3S)-N-Benzoyl-3-phenylisoserine, D998Q2WJCM, (2R,3S)-N-Benzoyl-3-phenyl Isoserine, N-BENZOYL-(2R,3S)-3-AMINO-2-HYDROXY-3-PHENYL-PROPIONIC ACID, Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (alphaR,betaS)-, MFCD00274633, taxol side chain, AK-57809, AC1MC6MK, SCHEMBL6277, CHEMBL134943, Jsp001945, CTK4B7796, (2R,3S)-3-Benzoylamino-2-hydroxy-3-phenyl-propionic acid, DTXSID10157433, Paclitaxel Side Chain Impurity 1, HYJVYOWKYPNSTK-UONOGXRCSA-N, (2R,3S)-N-Benzoylphenylisoserine, n-benzoyl-2r-3s-3-phenylisoserine, BCP22946, HY-N2380, ZINC4976336, ANW-54220, AKOS015917754, AC-9033, AN-7417, BCP9000974, CB-1712, KS-00000L21, N-benzoyl-(2R,3S)-3-phenyl-isoserine, AJ-52742, AS-13810, BP-22968, Q744, BCP0726000152, rel-N-Benzoyl-(2R,3S)-3-phenylisoserine, AX8041247, DB-002312, RT-023310, ST2414217, CS-0022559, FT-0662610, N-Benzoyl-(2R,3S)-3-phenylisoserine, 98%, J10358, M-1352, 201B333, I14-8977, J-006139, (2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoic acid, (2R,3S)-3-(benzamido)-2-hydroxy-3-phenylpropanoic acid, (|AR,|AS)-|A-(Benzoylamino)-|A-hydroxybenzenepropanoic Acid, (2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropionic Acid, Benzenepropanoic acid, b-(benzoylamino)-a-hydroxy-, (aR,bS)-, (2R,3S)-3-BENZOYLAMINO-2-HYDROXY-3-PHENYLPROPIONIC ACID, [R-(R*,S*)]-|A-(benzoylamino)-|A-hydroxybenzenepropanoic Acid, Benzenepropanoic acid, b-(benzoylamino)-a-hydroxy-, methyl ester,(aR,bS)-, (2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropanoic Acid ((2R,3S)-N-Benzoyl-3-phenylisoserine), N-Benzoyl- -3-phenylisoserine, C16H15NO4, ACN-032468, CID2762289, 3-benzamido-2-hydroxy-3-phenyl-propanoic Acid, (2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoicacid, 188003-77-2, 32981-85-4,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	285.1g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	285.299g/mol
Monoisotopic Mass	285.1g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	86.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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

Lot Number