2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate

C6H14NiO10 — CID 155387795

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate
SMILESO.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Ni]
InChIInChI=1S/C6H8O7.Ni.3H2O/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);;3*1H2
InChIKeyNHFAMPPOGPCPQE-UHFFFAOYSA-N
MW304.86 g/mol
LogP-3.73
Rot. Bonds5

About 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate

2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate (PubChem CID 155387795) has the molecular formula C6H14NiO10 and a molecular weight of 304.86 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate
PubChem CID155387795
Molecular FormulaC6H14NiO10
Molecular Weight304.86 g/mol
Exact Mass303.99
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate
SMILESO.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Ni]
InChIInChI=1S/C6H8O7.Ni.3H2O/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);;3*1H2
InChIKeyNHFAMPPOGPCPQE-UHFFFAOYSA-N
XLogP-3.73
TPSA226.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 5-3.73
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
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 159047889
CID 131842539
CID 131842539
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);zinc;trihydrate
CID 174885408
CID 158985264
CID 158985264
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
CID 175162796
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate (CID 155387795) is 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate is O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Ni].
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate?
The InChIKey is NHFAMPPOGPCPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.Ni.3H2O/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);;3*1H2.
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate?
2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate has a molecular weight of 304.86 g/mol, XLogP of -3.73, 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;nickel;trihydrate is sourced from PubChem (CID 155387795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).