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

C6H11FeNaO8 — CID 174869049

IUPACsodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate
SMILESO.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe].[H-].[Na+]
InChIInChI=1S/C6H8O7.Fe.Na.H2O.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);;;1H2;/q;;+1;;-1
InChIKeyOWRPSFPJXNNGBC-UHFFFAOYSA-N
MW289.98 g/mol
LogP-4.96
Rot. Bonds5

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

sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate (PubChem CID 174869049) has the molecular formula C6H11FeNaO8 and a molecular weight of 289.98 g/mol. Its IUPAC name is sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate.

Molecular Properties

Compound Namesodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate
PubChem CID174869049
Molecular FormulaC6H11FeNaO8
Molecular Weight289.98 g/mol
Exact Mass289.97
IUPAC Namesodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate
SMILESO.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe].[H-].[Na+]
InChIInChI=1S/C6H8O7.Fe.Na.H2O.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);;;1H2;/q;;+1;;-1
InChIKeyOWRPSFPJXNNGBC-UHFFFAOYSA-N
XLogP-4.96
TPSA163.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.98
LogP ≤ 5-4.96
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;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 174482956
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
barium(2+);hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173410096
trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
CID 173246705
CID 173238603
CID 173238603
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
magnesium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hexahydrate
CID 173498708
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate?
The IUPAC name of sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate (CID 174869049) is sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate.
What is the SMILES notation for sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate?
The canonical SMILES for sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate is O.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;hydrate?
The InChIKey is OWRPSFPJXNNGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.Fe.Na.H2O.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);;;1H2;/q;;+1;;-1.
What are the key properties of sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate?
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate has a molecular weight of 289.98 g/mol, XLogP of -4.96, 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;hydrate is sourced from PubChem (CID 174869049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).