sodium;2,3-dihydroxybutanedioic acid;fluoride

C4H6FNaO6 — CID 157387580

IUPACsodium;2,3-dihydroxybutanedioic acid;fluoride
SMILESO=C(O)C(O)C(O)C(=O)O.[F-].[Na+]
InChIInChI=1S/C4H6O6.FH.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);1H;/q;;+1/p-1
InChIKeyBLPNYMSQBDBNSS-UHFFFAOYSA-M
MW192.07 g/mol
LogP-8.11
Rot. Bonds3

About sodium;2,3-dihydroxybutanedioic acid;fluoride

sodium;2,3-dihydroxybutanedioic acid;fluoride (PubChem CID 157387580) has the molecular formula C4H6FNaO6 and a molecular weight of 192.07 g/mol. Its IUPAC name is sodium;2,3-dihydroxybutanedioic acid;fluoride.

Molecular Properties

Compound Namesodium;2,3-dihydroxybutanedioic acid;fluoride
PubChem CID157387580
Molecular FormulaC4H6FNaO6
Molecular Weight192.07 g/mol
Exact Mass192.00
IUPAC Namesodium;2,3-dihydroxybutanedioic acid;fluoride
SMILESO=C(O)C(O)C(O)C(=O)O.[F-].[Na+]
InChIInChI=1S/C4H6O6.FH.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);1H;/q;;+1/p-1
InChIKeyBLPNYMSQBDBNSS-UHFFFAOYSA-M
XLogP-8.11
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.07
LogP ≤ 5-8.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze sodium;2,3-dihydroxybutanedioic acid;fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
CID 173054452
CID 173054452
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
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
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764

Frequently Asked Questions

What is the IUPAC name of sodium;2,3-dihydroxybutanedioic acid;fluoride?
The IUPAC name of sodium;2,3-dihydroxybutanedioic acid;fluoride (CID 157387580) is sodium;2,3-dihydroxybutanedioic acid;fluoride.
What is the SMILES notation for sodium;2,3-dihydroxybutanedioic acid;fluoride?
The canonical SMILES for sodium;2,3-dihydroxybutanedioic acid;fluoride is O=C(O)C(O)C(O)C(=O)O.[F-].[Na+].
What is the InChIKey of sodium;2,3-dihydroxybutanedioic acid;fluoride?
The InChIKey is BLPNYMSQBDBNSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O6.FH.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);1H;/q;;+1/p-1.
What are the key properties of sodium;2,3-dihydroxybutanedioic acid;fluoride?
sodium;2,3-dihydroxybutanedioic acid;fluoride has a molecular weight of 192.07 g/mol, XLogP of -8.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,3-dihydroxybutanedioic acid;fluoride is sourced from PubChem (CID 157387580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).