2,3-dihydroxybutanedioic acid;iron(2+)

C4H6FeO6+2 — CID 3083786

IUPAC2,3-dihydroxybutanedioic acid;iron(2+)
SMILESO=C(O)C(O)C(O)C(=O)O.[Fe+2]
InChIInChI=1S/C4H6O6.Fe/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2
InChIKeyOHZCFWMJMWFNFP-UHFFFAOYSA-N
MW205.93 g/mol
LogP-2.13
Rot. Bonds3

About 2,3-dihydroxybutanedioic acid;iron(2+)

2,3-dihydroxybutanedioic acid;iron(2+) (PubChem CID 3083786) has the molecular formula C4H6FeO6+2 and a molecular weight of 205.93 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;iron(2+).

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;iron(2+)
PubChem CID3083786
Molecular FormulaC4H6FeO6+2
Molecular Weight205.93 g/mol
Exact Mass205.95
IUPAC Name2,3-dihydroxybutanedioic acid;iron(2+)
SMILESO=C(O)C(O)C(O)C(=O)O.[Fe+2]
InChIInChI=1S/C4H6O6.Fe/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2
InChIKeyOHZCFWMJMWFNFP-UHFFFAOYSA-N
XLogP-2.13
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.93
LogP ≤ 5-2.13
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

alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580
azanide;2,3-dihydroxybutanedioic acid;titanium
CID 87433733
barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane
CID 173390294

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;iron(2+)?
The IUPAC name of 2,3-dihydroxybutanedioic acid;iron(2+) (CID 3083786) is 2,3-dihydroxybutanedioic acid;iron(2+).
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;iron(2+)?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;iron(2+) is O=C(O)C(O)C(O)C(=O)O.[Fe+2].
What is the InChIKey of 2,3-dihydroxybutanedioic acid;iron(2+)?
The InChIKey is OHZCFWMJMWFNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.Fe/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2.
What are the key properties of 2,3-dihydroxybutanedioic acid;iron(2+)?
2,3-dihydroxybutanedioic acid;iron(2+) has a molecular weight of 205.93 g/mol, XLogP of -2.13, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;iron(2+) is sourced from PubChem (CID 3083786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).