lithium 2,3-dihydroxy-3-oxopropanoate

C3H3LiO5 — CID 140653273

IUPAClithium 2,3-dihydroxy-3-oxopropanoate
SMILESO=C([O-])C(O)C(=O)O.[Li+]
InChIInChI=1S/C3H4O5.Li/c4-1(2(5)6)3(7)8;/h1,4H,(H,5,6)(H,7,8);/q;+1/p-1
InChIKeyLTONBIFZXDREFU-UHFFFAOYSA-M
MW125.99 g/mol
LogP-5.81
Rot. Bonds2

About lithium 2,3-dihydroxy-3-oxopropanoate

lithium 2,3-dihydroxy-3-oxopropanoate (PubChem CID 140653273) has the molecular formula C3H3LiO5 and a molecular weight of 125.99 g/mol. Its IUPAC name is lithium 2,3-dihydroxy-3-oxopropanoate.

Molecular Properties

Compound Namelithium 2,3-dihydroxy-3-oxopropanoate
PubChem CID140653273
Molecular FormulaC3H3LiO5
Molecular Weight125.99 g/mol
Exact Mass126.01
IUPAC Namelithium 2,3-dihydroxy-3-oxopropanoate
SMILESO=C([O-])C(O)C(=O)O.[Li+]
InChIInChI=1S/C3H4O5.Li/c4-1(2(5)6)3(7)8;/h1,4H,(H,5,6)(H,7,8);/q;+1/p-1
InChIKeyLTONBIFZXDREFU-UHFFFAOYSA-M
XLogP-5.81
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.99
LogP ≤ 5-5.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

zinc 2-hydroxypropanedioate
CID 20549630
2,3-dihydroxybutanedioate
CID 19608871
dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
CID 140580978
(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 24755569
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
CID 173015328
azanium 2,3,4-trihydroxy-4-oxobutanoate
CID 6432315
lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 140580975
dicalcium;2,3-dihydroxybutanedioate;sulfate
CID 175489646
2,3-dihydroxybutanedioate;iron(6+);disulfate
CID 172847338

Frequently Asked Questions

What is the IUPAC name of lithium 2,3-dihydroxy-3-oxopropanoate?
The IUPAC name of lithium 2,3-dihydroxy-3-oxopropanoate (CID 140653273) is lithium 2,3-dihydroxy-3-oxopropanoate.
What is the SMILES notation for lithium 2,3-dihydroxy-3-oxopropanoate?
The canonical SMILES for lithium 2,3-dihydroxy-3-oxopropanoate is O=C([O-])C(O)C(=O)O.[Li+].
What is the InChIKey of lithium 2,3-dihydroxy-3-oxopropanoate?
The InChIKey is LTONBIFZXDREFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4O5.Li/c4-1(2(5)6)3(7)8;/h1,4H,(H,5,6)(H,7,8);/q;+1/p-1.
What are the key properties of lithium 2,3-dihydroxy-3-oxopropanoate?
lithium 2,3-dihydroxy-3-oxopropanoate has a molecular weight of 125.99 g/mol, XLogP of -5.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,3-dihydroxy-3-oxopropanoate is sourced from PubChem (CID 140653273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).