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(3S) -3-Hydroxy-L-aspartic acid

CAT: 0926-MH44502-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-MH44502-01Size:5 mg
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CAS Number
7298-99-9
Synonyms
(3s-) 3-Hydroxy-L-aspartic acid
Smiles
[C@H] ([C@@H] (C (=O) O) O) (C (=O) O) N
Molecular Formula
C4H7NO5
Molecular Weight
149.1 g/mol
Controlled
No

Chemical Information

DL-threo-beta-Hydroxyaspartic acid

(3S)-3-hydroxy-L-aspartic acid is the (3S)-diastereomer of 3-hydroxy-L-aspartic acid. It has a role as a metabolite. It is a conjugate acid of a (3S)-3-hydroxy-L-aspartate(2-) and a (3S)-3-hydroxy-L-aspartate(1-). It is an enantiomer of a (3R)-3-hydroxy-D-aspartic acid.

CAS Number7298-99-9
PubChem CID443239
IUPAC Name(2S,3S)-2-amino-3-hydroxybutanedioic acid
Molecular FormulaC4H7NO5
Molecular Weight149.10
XLogP-4.4
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity156
SMILES
[C@H]([C@@H](C(=O)O)O)(C(=O)O)N
InChI
InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1
InChIKey
YYLQUHNPNCGKJQ-LWMBPPNESA-N
Chemical Structure
2D Structure
2D structure of DL-threo-beta-Hydroxyaspartic acid
CAS: 7298-99-9
CID: 443239
Formula: C4H7NO5
MW: 149.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.10
XLogP3-4.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass149.03242232
Monoisotopic Mass149.03242232
Topological Polar Surface Area121 Ų
Heavy Atom Count10
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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