AG002H3R

188660-14-2 | H-D-Thr(Bzl)-Obzl Oxalate (1:1)

AG002H3R

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CAS Number	188660-14-2
Catalog Number	AG002H3R(AGN-PC-0QHU20)
Chemical Name	H-D-Thr(Bzl)-Obzl Oxalate (1:1)
IUPAC Name	benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate;oxalic acid
InChI	InChI=1S/C18H21NO3.C2H2O4/c1-14(21-12-15-8-4-2-5-9-15)17(19)18(20)22-13-16-10-6-3-7-11-16;3-1(4)2(5)6/h2-11,14,17H,12-13,19H2,1H3;(H,3,4)(H,5,6)/t14-,17+;/m0./s1
InChI Key	IIAVXHHGVJCFKI-SQQLFYIASA-N
MDL Number	MFCD02259517
Molecular Formula	C20H23NO7
Molecular Weight	389.3991
SMILES	OC(=O)C(O)=O.C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)OCC1=CC=CC=C1
Synonyms	188660-14-2, (2R,3S)-Benzyl 2-amino-3-(benzyloxy)butanoate oxalate, H-D-THR(BZL)-OBZL OXALATE (1:1), C18H21NO3.C2H2O4, AK-81077, H-D-Thr(bzl)-obzl.oxalate(1:1), KS-00000S7Q, 7120AH, MFCD02259517, AKOS024259133, DS-16111, K-5656, D-Threonine, O-(phenylmethyl)-, phenylmethyl ester, ethanedioate (1:1), IIAVXHHGVJCFKI-SQQLFYIASA-N, O-(Phenylmethyl)-D-threonine phenylmethyl ester ethanedioate,

Complexity	394
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	389.147g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	389.404g/mol
Monoisotopic Mass	389.147g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	136A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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