magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate

C15H26MgO16 — CID 87519712

IUPACmagnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate
SMILESCC(O)C(=O)O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Mg+2]
InChIInChI=1S/C9H16O9.C6H12O7.Mg/c1-3(11)9(17)18-7(8(15)16)6(14)5(13)4(12)2-10;7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-7,10-14H,2H2,1H3,(H,15,16);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t3?,4-,5-,6+,7-;2-,3-,4+,5-;/m11./s1
InChIKeyBJZHENPXWZFGAO-HBTLOHCASA-L
MW486.66 g/mol
LogP-10.10
Rot. Bonds12

About magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate

magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate (PubChem CID 87519712) has the molecular formula C15H26MgO16 and a molecular weight of 486.66 g/mol. Its IUPAC name is magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate.

Molecular Properties

Compound Namemagnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate
PubChem CID87519712
Molecular FormulaC15H26MgO16
Molecular Weight486.66 g/mol
Exact Mass486.11
IUPAC Namemagnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate
SMILESCC(O)C(=O)O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Mg+2]
InChIInChI=1S/C9H16O9.C6H12O7.Mg/c1-3(11)9(17)18-7(8(15)16)6(14)5(13)4(12)2-10;7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-7,10-14H,2H2,1H3,(H,15,16);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t3?,4-,5-,6+,7-;2-,3-,4+,5-;/m11./s1
InChIKeyBJZHENPXWZFGAO-HBTLOHCASA-L
XLogP-10.10
TPSA308.86 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500486.66
LogP ≤ 5-10.10
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

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

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Related Compounds

calcium;2-hydroxypropanoate;2,3,4,5,6-pentahydroxyhexanoate
CID 11244225
dimagnesium;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 162352604
magnesium;2-aminoacetate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 143308696
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
strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 23618905
azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 71587380
CID 171700327
CID 171700327

Frequently Asked Questions

What is the IUPAC name of magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate?
The IUPAC name of magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate (CID 87519712) is magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate.
What is the SMILES notation for magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate?
The canonical SMILES for magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate is CC(O)C(=O)O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Mg+2].
What is the InChIKey of magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate?
The InChIKey is BJZHENPXWZFGAO-HBTLOHCASA-L. The full InChI is InChI=1S/C9H16O9.C6H12O7.Mg/c1-3(11)9(17)18-7(8(15)16)6(14)5(13)4(12)2-10;7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-7,10-14H,2H2,1H3,(H,15,16);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t3?,4-,5-,6+,7-;2-,3-,4+,5-;/m11./s1.
What are the key properties of magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate?
magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate has a molecular weight of 486.66 g/mol, XLogP of -10.10, 12 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(2-hydroxypropanoyloxy)hexanoate is sourced from PubChem (CID 87519712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).