magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

C8H15MgNO9 — CID 143308696

IUPACmagnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SMILESNCC(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Mg+2]
InChIInChI=1S/C6H12O7.C2H5NO2.Mg/c7-1-2(8)3(9)4(10)5(11)6(12)13;3-1-2(4)5;/h2-5,7-11H,1H2,(H,12,13);1,3H2,(H,4,5);/q;;+2/p-2/t2-,3-,4+,5-;;/m1../s1
InChIKeyNDYBYPATPFDZGT-ZBHRUSISSA-L
MW293.51 g/mol
LogP-7.51
Rot. Bonds6

About magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate (PubChem CID 143308696) has the molecular formula C8H15MgNO9 and a molecular weight of 293.51 g/mol. Its IUPAC name is magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate.

Molecular Properties

Compound Namemagnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
PubChem CID143308696
Molecular FormulaC8H15MgNO9
Molecular Weight293.51 g/mol
Exact Mass293.06
IUPAC Namemagnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SMILESNCC(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Mg+2]
InChIInChI=1S/C6H12O7.C2H5NO2.Mg/c7-1-2(8)3(9)4(10)5(11)6(12)13;3-1-2(4)5;/h2-5,7-11H,1H2,(H,12,13);1,3H2,(H,4,5);/q;;+2/p-2/t2-,3-,4+,5-;;/m1../s1
InChIKeyNDYBYPATPFDZGT-ZBHRUSISSA-L
XLogP-7.51
TPSA207.43 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.51
LogP ≤ 5-7.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimagnesium;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 162352604
magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 173373103
magnesium bis((2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoate)
CID 21118505
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
CID 23618074
CID 23618074
potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 16760467
iron(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 656646
CID 171700327
CID 171700327
azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 71587380
dizinc;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 175791936
indium(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 24815492
strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 23618905

Frequently Asked Questions

What is the IUPAC name of magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The IUPAC name of magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate (CID 143308696) is magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate.
What is the SMILES notation for magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The canonical SMILES for magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate is NCC(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Mg+2].
What is the InChIKey of magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The InChIKey is NDYBYPATPFDZGT-ZBHRUSISSA-L. The full InChI is InChI=1S/C6H12O7.C2H5NO2.Mg/c7-1-2(8)3(9)4(10)5(11)6(12)13;3-1-2(4)5;/h2-5,7-11H,1H2,(H,12,13);1,3H2,(H,4,5);/q;;+2/p-2/t2-,3-,4+,5-;;/m1../s1.
What are the key properties of magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate has a molecular weight of 293.51 g/mol, XLogP of -7.51, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate is sourced from PubChem (CID 143308696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).