2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide

C7H12MoO15 — CID 87735288

IUPAC2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide
SMILESO=C(O)CC(CC(=O)O)(OC(=O)O)C(=O)O.O=[Mo](=O)(O)O.OO
InChIInChI=1S/C7H8O9.Mo.H2O2.2H2O.2O/c8-3(9)1-7(5(12)13,2-4(10)11)16-6(14)15;;1-2;;;;/h1-2H2,(H,8,9)(H,10,11)(H,12,13)(H,14,15);;1-2H;2*1H2;;/q;+2;;;;;/p-2
InChIKeySKYMCZHYQVOXOE-UHFFFAOYSA-L
MW432.10 g/mol
LogP-1.88
Rot. Bonds6

About 2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide

2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide (PubChem CID 87735288) has the molecular formula C7H12MoO15 and a molecular weight of 432.10 g/mol. Its IUPAC name is 2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide.

Molecular Properties

Compound Name2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide
PubChem CID87735288
Molecular FormulaC7H12MoO15
Molecular Weight432.10 g/mol
Exact Mass433.92
IUPAC Name2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide
SMILESO=C(O)CC(CC(=O)O)(OC(=O)O)C(=O)O.O=[Mo](=O)(O)O.OO
InChIInChI=1S/C7H8O9.Mo.H2O2.2H2O.2O/c8-3(9)1-7(5(12)13,2-4(10)11)16-6(14)15;;1-2;;;;/h1-2H2,(H,8,9)(H,10,11)(H,12,13)(H,14,15);;1-2H;2*1H2;;/q;+2;;;;;/p-2
InChIKeySKYMCZHYQVOXOE-UHFFFAOYSA-L
XLogP-1.88
TPSA273.49 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.10
LogP ≤ 5-1.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide 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

disodium;hydride;2-(1,2,3-tricarboxypropan-2-yloxycarbonyloxy)propane-1,2,3-tricarboxylic acid
CID 175275851
2-[3-methyl-2,2-di(propan-2-yl)butanoyl]oxypropane-1,2,3-tricarboxylic acid
CID 87719277
potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride
CID 175386311
2-oxaldehydoyloxypropane-1,2,3-tricarboxylic acid
CID 54454570
3-carboxyoxy-3-hydroxypentanedioic acid
CID 87061582
2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
CID 88843175
magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid
CID 173025437
sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride
CID 173100482
2-[3-(1,2,3-tricarboxypropan-2-yloxy)propoxy]propane-1,2,3-tricarboxylic acid
CID 58640862
2-[(3S)-3-amino-4-oxo-4-(1,2,3-tricarboxypropan-2-yloxy)butanoyl]oxypropane-1,2,3-tricarboxylic acid
CID 174924101
trisodium;2-(3,4-dicarboxy-3-hydroxybutanoyl)oxypropane-1,2,3-tricarboxylic acid;hydride;trihydrate
CID 173324117
pentacalcium;copper;hydride;bis(2-phosphonooxypropane-1,2,3-tricarboxylic acid)
CID 173287882

Frequently Asked Questions

What is the IUPAC name of 2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide?
The IUPAC name of 2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide (CID 87735288) is 2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide.
What is the SMILES notation for 2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide?
The canonical SMILES for 2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide is O=C(O)CC(CC(=O)O)(OC(=O)O)C(=O)O.O=[Mo](=O)(O)O.OO.
What is the InChIKey of 2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide?
The InChIKey is SKYMCZHYQVOXOE-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8O9.Mo.H2O2.2H2O.2O/c8-3(9)1-7(5(12)13,2-4(10)11)16-6(14)15;;1-2;;;;/h1-2H2,(H,8,9)(H,10,11)(H,12,13)(H,14,15);;1-2H;2*1H2;;/q;+2;;;;;/p-2.
What are the key properties of 2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide?
2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide has a molecular weight of 432.10 g/mol, XLogP of -1.88, 6 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide is sourced from PubChem (CID 87735288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).