2-hydroxypropane-1,2,3-tricarboxylic acid;manganese

C6H8MnO7 — CID 90472972

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[Mn]
InChIInChI=1S/C6H8O7.Mn/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);
InChIKeyOKOYFIHZDKMHAM-UHFFFAOYSA-N
MW247.06 g/mol
LogP-1.25
Rot. Bonds5

About 2-hydroxypropane-1,2,3-tricarboxylic acid;manganese

2-hydroxypropane-1,2,3-tricarboxylic acid;manganese (PubChem CID 90472972) has the molecular formula C6H8MnO7 and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;manganese.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
PubChem CID90472972
Molecular FormulaC6H8MnO7
Molecular Weight247.06 g/mol
Exact Mass246.97
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[Mn]
InChIInChI=1S/C6H8O7.Mn/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);
InChIKeyOKOYFIHZDKMHAM-UHFFFAOYSA-N
XLogP-1.25
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
CID 24997986
CID 24997986
CID 173004565
CID 173004565
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
2-hydroxypropane-1,2,3-tricarboxylic acid;rhodium(2+)
CID 10469750
carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87148662
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802
CID 87090686
CID 87090686
CID 6335619
CID 6335619

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;manganese?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;manganese (CID 90472972) is 2-hydroxypropane-1,2,3-tricarboxylic acid;manganese.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;manganese?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;manganese is O=C(O)CC(O)(CC(=O)O)C(=O)O.[Mn].
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;manganese?
The InChIKey is OKOYFIHZDKMHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.Mn/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);.
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;manganese?
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese has a molecular weight of 247.06 g/mol, XLogP of -1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;manganese is sourced from PubChem (CID 90472972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).