dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate

C4H7K2O10P — CID 158028853

IUPACdipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate
SMILESO=C(O)C(O)C(O)C(=O)O.O=P([O-])([O-])O.[K+].[K+]
InChIInChI=1S/C4H6O6.2K.H3O4P/c5-1(3(7)8)2(6)4(9)10;;;1-5(2,3)4/h1-2,5-6H,(H,7,8)(H,9,10);;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyFGYAMQDRAVDUEY-UHFFFAOYSA-L
MW324.26 g/mol
LogP-10.31
Rot. Bonds3

About dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate

dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate (PubChem CID 158028853) has the molecular formula C4H7K2O10P and a molecular weight of 324.26 g/mol. Its IUPAC name is dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate.

Molecular Properties

Compound Namedipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate
PubChem CID158028853
Molecular FormulaC4H7K2O10P
Molecular Weight324.26 g/mol
Exact Mass323.91
IUPAC Namedipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate
SMILESO=C(O)C(O)C(O)C(=O)O.O=P([O-])([O-])O.[K+].[K+]
InChIInChI=1S/C4H6O6.2K.H3O4P/c5-1(3(7)8)2(6)4(9)10;;;1-5(2,3)4/h1-2,5-6H,(H,7,8)(H,9,10);;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyFGYAMQDRAVDUEY-UHFFFAOYSA-L
XLogP-10.31
TPSA198.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 5-10.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

potassium;dihydrogen phosphate;2-hydroxypropanoic acid
CID 174779739
lithium;potassium;2,3-dihydroxybutanedioic acid;hydride
CID 173108062
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446
dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate
CID 56963012
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
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
potassium;azane;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 102600774

Frequently Asked Questions

What is the IUPAC name of dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate?
The IUPAC name of dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate (CID 158028853) is dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate.
What is the SMILES notation for dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate?
The canonical SMILES for dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate is O=C(O)C(O)C(O)C(=O)O.O=P([O-])([O-])O.[K+].[K+].
What is the InChIKey of dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate?
The InChIKey is FGYAMQDRAVDUEY-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O6.2K.H3O4P/c5-1(3(7)8)2(6)4(9)10;;;1-5(2,3)4/h1-2,5-6H,(H,7,8)(H,9,10);;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate?
dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate has a molecular weight of 324.26 g/mol, XLogP of -10.31, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate is sourced from PubChem (CID 158028853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).