calcium;hydride;2,2,3-trihydroxypentanedioic acid

C5H10CaO7 — CID 174353561

IUPACcalcium;hydride;2,2,3-trihydroxypentanedioic acid
SMILESO=C(O)CC(O)C(O)(O)C(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H8O7.Ca.2H/c6-2(1-3(7)8)5(11,12)4(9)10;;;/h2,6,11-12H,1H2,(H,7,8)(H,9,10);;;/q;+2;2*-1
InChIKeyWRLUETKFFVHVRL-UHFFFAOYSA-N
MW222.21 g/mol
LogP-2.57
Rot. Bonds4

About calcium;hydride;2,2,3-trihydroxypentanedioic acid

calcium;hydride;2,2,3-trihydroxypentanedioic acid (PubChem CID 174353561) has the molecular formula C5H10CaO7 and a molecular weight of 222.21 g/mol. Its IUPAC name is calcium;hydride;2,2,3-trihydroxypentanedioic acid.

Molecular Properties

Compound Namecalcium;hydride;2,2,3-trihydroxypentanedioic acid
PubChem CID174353561
Molecular FormulaC5H10CaO7
Molecular Weight222.21 g/mol
Exact Mass222.01
IUPAC Namecalcium;hydride;2,2,3-trihydroxypentanedioic acid
SMILESO=C(O)CC(O)C(O)(O)C(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H8O7.Ca.2H/c6-2(1-3(7)8)5(11,12)4(9)10;;;/h2,6,11-12H,1H2,(H,7,8)(H,9,10);;;/q;+2;2*-1
InChIKeyWRLUETKFFVHVRL-UHFFFAOYSA-N
XLogP-2.57
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-2.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze calcium;hydride;2,2,3-trihydroxypentanedioic acid 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

(3-carboxy-1,1,2-trihydroxypropyl)-trimethylazanium
CID 91314202
2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid
CID 175114056
2,2,3-trihydroxyheptanoic acid
CID 54223747
4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid
CID 118209497
calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;pentahydrate
CID 175189252
calcium 2,2,3-trihydroxypentanedioate
CID 18704349
trisodium;hydride;propane-1,2,3-tricarboxylic acid
CID 173014092
potassium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 174781455
sodium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173220452
calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
CID 174903110
(3S)-4-cyano-3-hydroxy-4-methylpentanoic acid
CID 101418719
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;2,2,3-trihydroxypentanedioic acid?
The IUPAC name of calcium;hydride;2,2,3-trihydroxypentanedioic acid (CID 174353561) is calcium;hydride;2,2,3-trihydroxypentanedioic acid.
What is the SMILES notation for calcium;hydride;2,2,3-trihydroxypentanedioic acid?
The canonical SMILES for calcium;hydride;2,2,3-trihydroxypentanedioic acid is O=C(O)CC(O)C(O)(O)C(=O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;2,2,3-trihydroxypentanedioic acid?
The InChIKey is WRLUETKFFVHVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O7.Ca.2H/c6-2(1-3(7)8)5(11,12)4(9)10;;;/h2,6,11-12H,1H2,(H,7,8)(H,9,10);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;2,2,3-trihydroxypentanedioic acid?
calcium;hydride;2,2,3-trihydroxypentanedioic acid has a molecular weight of 222.21 g/mol, XLogP of -2.57, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;2,2,3-trihydroxypentanedioic acid is sourced from PubChem (CID 174353561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).