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

C6H9FeNaO7 — CID 173003621

IUPACsodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe].[H-].[Na+]
InChIInChI=1S/C6H8O7.Fe.Na.H/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);;;/q;;+1;-1
InChIKeyUHGIUNUNUPCEJO-UHFFFAOYSA-N
MW271.97 g/mol
LogP-4.13
Rot. Bonds5

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

sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron (PubChem CID 173003621) has the molecular formula C6H9FeNaO7 and a molecular weight of 271.97 g/mol. Its IUPAC name is sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron.

Molecular Properties

Compound Namesodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
PubChem CID173003621
Molecular FormulaC6H9FeNaO7
Molecular Weight271.97 g/mol
Exact Mass271.96
IUPAC Namesodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe].[H-].[Na+]
InChIInChI=1S/C6H8O7.Fe.Na.H/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);;;/q;;+1;-1
InChIKeyUHGIUNUNUPCEJO-UHFFFAOYSA-N
XLogP-4.13
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.97
LogP ≤ 5-4.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 174482956
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
barium(2+);hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173410096

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron?
The IUPAC name of sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron (CID 173003621) is sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron.
What is the SMILES notation for sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron?
The canonical SMILES for sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron is O=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe].[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron?
The InChIKey is UHGIUNUNUPCEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.Fe.Na.H/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);;;/q;;+1;-1.
What are the key properties of sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron?
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron has a molecular weight of 271.97 g/mol, XLogP of -4.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron is sourced from PubChem (CID 173003621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).