hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate

C6H12O10 — CID 158473512

IUPAChydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
SMILESO.O=C(O)CC(O)(CC(=O)O)C(=O)O.OO
InChIInChI=1S/C6H8O7.H2O2.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H;1H2
InChIKeyHGQITBIHNVFAIY-UHFFFAOYSA-N
MW244.15 g/mol
LogP-2.06
Rot. Bonds5

About hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate

hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate (PubChem CID 158473512) has the molecular formula C6H12O10 and a molecular weight of 244.15 g/mol. Its IUPAC name is hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate.

Molecular Properties

Compound Namehydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
PubChem CID158473512
Molecular FormulaC6H12O10
Molecular Weight244.15 g/mol
Exact Mass244.04
IUPAC Namehydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
SMILESO.O=C(O)CC(O)(CC(=O)O)C(=O)O.OO
InChIInChI=1S/C6H8O7.H2O2.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H;1H2
InChIKeyHGQITBIHNVFAIY-UHFFFAOYSA-N
XLogP-2.06
TPSA204.09 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.15
LogP ≤ 5-2.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
CID 131842539
CID 131842539
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);zinc;trihydrate
CID 174885408
CID 158985264
CID 158985264
2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate
CID 155387795
cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 159047889
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
CID 175162796
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The IUPAC name of hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate (CID 158473512) is hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate.
What is the SMILES notation for hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The canonical SMILES for hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate is O.O=C(O)CC(O)(CC(=O)O)C(=O)O.OO.
What is the InChIKey of hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The InChIKey is HGQITBIHNVFAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.H2O2.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H;1H2.
What are the key properties of hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate has a molecular weight of 244.15 g/mol, XLogP of -2.06, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate is sourced from PubChem (CID 158473512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).