sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron

C12H17FeNaO14 — CID 174482956

IUPACsodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe].[H-].[Na+]
InChIInChI=1S/2C6H8O7.Fe.Na.H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;;+1;-1
InChIKeyXLMKTJLZKFECAS-UHFFFAOYSA-N
MW464.09 g/mol
LogP-5.38
Rot. Bonds10

About sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron

sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron (PubChem CID 174482956) has the molecular formula C12H17FeNaO14 and a molecular weight of 464.09 g/mol. Its IUPAC name is sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron.

Molecular Properties

Compound Namesodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
PubChem CID174482956
Molecular FormulaC12H17FeNaO14
Molecular Weight464.09 g/mol
Exact Mass463.99
IUPAC Namesodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe].[H-].[Na+]
InChIInChI=1S/2C6H8O7.Fe.Na.H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;;+1;-1
InChIKeyXLMKTJLZKFECAS-UHFFFAOYSA-N
XLogP-5.38
TPSA264.26 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.09
LogP ≤ 5-5.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate
CID 174869049
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
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
CID 173238603
CID 173238603
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173061207
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide
CID 173339742
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron?
The IUPAC name of sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron (CID 174482956) is sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron.
What is the SMILES notation for sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron?
The canonical SMILES for sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe].[H-].[Na+].
What is the InChIKey of sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron?
The InChIKey is XLMKTJLZKFECAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8O7.Fe.Na.H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;;+1;-1.
What are the key properties of sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron?
sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron has a molecular weight of 464.09 g/mol, XLogP of -5.38, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron is sourced from PubChem (CID 174482956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).