AG003JK9

71653-06-0 | 3-Hydroxyaspartic Acid

AG003JK9

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CAS Number	71653-06-0
Catalog Number	AG003JK9(AGN-PC-0WG3LA)
Chemical Name	3-Hydroxyaspartic Acid
EC Number	275-771-1
IUPAC Name	2-amino-3-hydroxybutanedioic acid
InChI	InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
InChI Key	YYLQUHNPNCGKJQ-UHFFFAOYSA-N
MDL Number	MFCD00128126
Molecular Formula	C4H7NO5
Molecular Weight	149.1021
SMILES	O=C(O)C(N)C(O)C(O)=O
Synonyms	3-hydroxyaspartic acid, 3-hydroxyaspartic acid, (erythro)-isomer, 3-hydroxyaspartic acid, (erythro-D)-isomer, 3-hydroxyaspartic acid, (erythro-DL)-isomer, 3-hydroxyaspartic acid, (erythro-L)-isomer, 3-hydroxyaspartic acid, (threo-DL)-isomer, 3-hydroxyaspartic acid, (threo-L)-isomer, beta-hydroxyaspartic acid, DL-threo-3-hydroxyaspartic acid, erythro-beta-hydroxyaspartic acid, L-erythro-3-hydroxyaspartate, L-threo-beta-hydroxyaspartic acid, threo-beta-aspartate, threo-hydroxyaspartic acid, threo-THA, 3-Hydroxyaspartic acid, 71653-06-0, 2-Amino-3-hydroxysuccinic Acid, Malic acid, 3-amino-, 2-amino-3-hydroxybutanedioic acid, d,l-threo-3-HYDROXYASPARTIC ACID, beta-Hydroxyaspartic acid, NSC618260, 1860-87-3, CHEBI:83981, 2-amino-3-hydroxy-butanedioic acid, DL-Threo-.beta.-hydroxyaspartic acid, threo-beta-Hydroxyaspartate, 3-Hydroxy-DL-aspartic acid, 4294-45-5, L-threo-beta-Hydroxyaspartic acid, 7298-98-8, Aspartic acid, 3-hydroxy-, D,L-Threo-b-hydroxyaspartic acid, DL-threo-3-Hydroxyaspartic acid, 3-aminomalic acid, (2S,3S)-2-Amino-3-hydroxysuccinic acid, EINECS 275-771-1, NSC 84663, Spectrum_001134, ACMC-209ojj, threo-b-Hydroxyaspartate, AC1L1KBW, Spectrum2_001914, Spectrum3_001123, Spectrum4_001967, Spectrum5_000765, AC1Q5S2Q, Aspartic acid, DL-erythro-, DL-Aspartic acid, erythro-, 3-Hydroxy-DL-asparatic acid, BSPBio_002585, KBioGR_002438, KBioSS_001614, SPECTRUM501000, SCHEMBL336363, SPBio_001908, erythro-3-Hydroxy-DL-aspartate, CHEMBL3039080, 2-amino-3-hydroxy-succinic acid, CTK2H9555, KBio2_001614, KBio2_004182, KBio2_006750, KBio3_002085, 3-amino-2-hydroxybutanedioic acid, NSC84663, .beta.-erythro-Hydroxy-DL-aspartate, CCG-38483, MFCD00128126, NSC-84663, NSC119128, NSC119129, NSC139979, NSC158204, NSC158205, 2-azanyl-3-oxidanyl-butanedioic acid, AKOS022145819, DL-erythro-.beta.-Hydroxyaspartic acid, MCULE-9532787420, NSC-119128, NSC-119129, NSC-139979, NSC-158204, NSC-158205, NSC-618260, SDCCGMLS-0066971.P001, erythro-.beta.-Hydroxy-DL-aspartic acid, NCGC00015504-02, NCGC00095968-01, Aspartic acid, 3-hydroxy- (8CI)(9CI), L-(-)-threo-beta-HYDROXYASPARTIC ACID, RT-001415, ST45022104, A826077, Beta-Hydroxy Aspartic Acid, D0Z8VP, UNII-Z9Q5W0U8VW, erythro-beta-Hydroxyaspartic acid, CID5425, Threo-3-hydroxy-DL-aspartic acid, C4-H7-N-O5, beta-Hydroxyaspartic acid, l-threo-, EINECS 224-299-4, AR-1F3688, L-(-)-threo-3-Hydroxyaspartic acid, beta-Hydroxy-L-aspartic acid, threo-, (2S)-2-amino-3-hydroxysuccinic acid, L-Aspartic acid, 3-hydroxy-, (3S)-, (2R,3R)-2-amino-3-hydroxysuccinic acid, (2R,3S)-2-amino-3-hydroxysuccinic acid, (2S,3R)-2-amino-3-hydroxysuccinic acid, H0947, 7298-99-9, 5753-30-0, 6532-76-9, 16417-36-0, 75-75-2, 81601-40-3,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.032g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	149.102g/mol
Monoisotopic Mass	149.032g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-4.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number