magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate

C8H20MgN2O12 — CID 56841975

IUPACmagnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate
SMILESN[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].O.O.O.O.[Mg+2]
InChIInChI=1S/2C4H7NO4.Mg.4H2O/c2*5-2(4(8)9)1-3(6)7;;;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;4*1H2/q;;+2;;;;/p-2/t2*2-;;;;;/m00...../s1
InChIKeyCRSJYWPXKKSOCQ-CBAPHJFVSA-L
MW360.56 g/mol
LogP-8.60
Rot. Bonds6

About magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate

magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate (PubChem CID 56841975) has the molecular formula C8H20MgN2O12 and a molecular weight of 360.56 g/mol. Its IUPAC name is magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate.

Molecular Properties

Compound Namemagnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate
PubChem CID56841975
Molecular FormulaC8H20MgN2O12
Molecular Weight360.56 g/mol
Exact Mass360.09
IUPAC Namemagnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate
SMILESN[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].O.O.O.O.[Mg+2]
InChIInChI=1S/2C4H7NO4.Mg.4H2O/c2*5-2(4(8)9)1-3(6)7;;;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;4*1H2/q;;+2;;;;/p-2/t2*2-;;;;;/m00...../s1
InChIKeyCRSJYWPXKKSOCQ-CBAPHJFVSA-L
XLogP-8.60
TPSA332.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.56
LogP ≤ 5-8.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

L-Aspartic Acid
CID 5960
D-Aspartic Acid
CID 83887
(+-)-Aspartic Acid
CID 424
CID 44367445
CID 44367445
d,l-Aspartic acid
CID 139060126
CID 139148725
CID 139148725
Zinc Aspartate
CID 56841018
Potassium Aspartate
CID 71586907
L-Aspartic acid, monopotassium salt
CID 23672742
Magnesium aspartate anhydrous
CID 92912
Monosodium Aspartate
CID 23672344
Potassium L-aspartate
CID 23676147

Frequently Asked Questions

What is the IUPAC name of magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate?
The IUPAC name of magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate (CID 56841975) is magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate.
What is the SMILES notation for magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate?
The canonical SMILES for magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate is N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].O.O.O.O.[Mg+2].
What is the InChIKey of magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate?
The InChIKey is CRSJYWPXKKSOCQ-CBAPHJFVSA-L. The full InChI is InChI=1S/2C4H7NO4.Mg.4H2O/c2*5-2(4(8)9)1-3(6)7;;;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;4*1H2/q;;+2;;;;/p-2/t2*2-;;;;;/m00...../s1.
What are the key properties of magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate?
magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate has a molecular weight of 360.56 g/mol, XLogP of -8.60, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis((2S)-2-amino-4-hydroxy-4-oxobutanoate);tetrahydrate is sourced from PubChem (CID 56841975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).