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3-Hydroxyaspartic acid

PubChem CID: 5425

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Compound Synonyms 3-Hydroxyaspartic acid, 71653-06-0, 2-Amino-3-hydroxysuccinic Acid, 2-amino-3-hydroxybutanedioic acid, d,l-threo-3-HYDROXYASPARTIC ACID, Aspartic acid, 3-hydroxy-, Malic acid, 3-amino-, 3-aminomalic acid, beta-Hydroxyaspartic acid, 4294-45-5, NSC618260, 1860-87-3, CHEBI:83981, 3-Hydroxy-DL-aspartic acid, 99A78V5YX2, DL-Threo-.beta.-hydroxyaspartic acid, NSC-84663, NSC 139979, threo-beta-Hydroxy-L-aspartic acid, 5753-30-0, threo-beta-Hydroxyaspartate, threo-3-Hydroxy-L-aspartic acid, NSC-139979, NSC-158205, 2-amino-3-hydroxy-butanedioic acid, EINECS 275-771-1, MFCD00128126, NSC 84663, Spectrum_001134, D -(+)-THREO -BETA-HYDROXYASPARTIC ACID, 3-hydroxy-aspartic acid, (2R,3S)-2-AMINO-3-HYDROXY-SUCCINIC ACID, Spectrum2_001914, Spectrum3_001123, Spectrum4_001967, Spectrum5_000765, Aspartic acid, DL-erythro-, DL-Aspartic acid, erythro-, BSPBio_002585, KBioGR_002438, KBioSS_001614, SPECTRUM501000, beta-Hydroxy-DL-aspartic acid, SCHEMBL336363, UNII-99A78V5YX2, SPBio_001908, erythro-3-Hydroxy-DL-aspartate, CHEMBL3039080, KBio2_001614, KBio2_004182, KBio2_006750, KBio3_002085, DTXSID20875575, YYLQUHNPNCGKJQ-UHFFFAOYSA-N, NSC84663, .beta.-erythro-Hydroxy-DL-aspartate, CCG-38483, NSC119128, NSC119129, NSC139979, NSC158204, NSC158205, AKOS022145819, DL-ASPARTIC ACID, 3-HYDROXY-, DL-erythro-.beta.-Hydroxyaspartic acid, NSC-119128, NSC-119129, NSC-158204, NSC-618260, SDCCGMLS-0066971.P001, .BETA.-HYDROXY-DL-ASPARTIC ACID, erythro-.beta.-Hydroxy-DL-aspartic acid, NCGC00015504-02, NCGC00095968-01, AS-87846, D-Aspartic acid,3-hydroxy-, (3R)-rel-, DB-050999, CS-0206811, H0947, (2R,3R)-2-Amino-3-hydroxy-butanedioic acid, D90978, D-Aspartic acid,3-hydroxy-, (3R)- Catalog NuMber, Q27157362
Topological Polar Surface Area 121.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 10.0
Isotope Atom Count 0.0
Molecular Complexity 156.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q9Y6L6, Q9NPD5
Iupac Name 2-amino-3-hydroxybutanedioic acid
Prediction Hob 1.0
Xlogp -4.4
Molecular Formula C4H7NO5
Prediction Swissadme 0.0
Inchi Key YYLQUHNPNCGKJQ-UHFFFAOYSA-N
Fcsp3 0.5
Logs -0.321
Rotatable Bond Count 3.0
Logd -1.792
Compound Name 3-Hydroxyaspartic acid
Prediction Hob Swissadme 0.0
Exact Mass 149.032
Formal Charge 0.0
Monoisotopic Mass 149.032
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 149.1
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol 2.2181676000000006
Inchi InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
Smiles C(C(C(=O)O)O)(C(=O)O)N
Nring 0.0
Defined Bond Stereocenter Count 0.0