2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium)

C22H48O7P2+2 — CID 146567573

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium)
SMILESCC[P+](CC)(CC)CC.CC[P+](CC)(CC)CC.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/2C8H20P.C6H8O7/c2*1-5-9(6-2,7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*5-8H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q2*+1;
InChIKeyLAKMFVZZQMQYKB-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.92
Rot. Bonds13

About 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium)

2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium) (PubChem CID 146567573) has the molecular formula C22H48O7P2+2 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium).

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium)
PubChem CID146567573
Molecular FormulaC22H48O7P2+2
Molecular Weight486.57 g/mol
Exact Mass486.29
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium)
SMILESCC[P+](CC)(CC)CC.CC[P+](CC)(CC)CC.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/2C8H20P.C6H8O7/c2*1-5-9(6-2,7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*5-8H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q2*+1;
InChIKeyLAKMFVZZQMQYKB-UHFFFAOYSA-N
XLogP4.92
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 161021171
azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173341886
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158369615
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
CID 173004565
CID 173004565
CID 24997986
CID 24997986

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium)?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium) (CID 146567573) is 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium).
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium)?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium) is CC[P+](CC)(CC)CC.CC[P+](CC)(CC)CC.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium)?
The InChIKey is LAKMFVZZQMQYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H20P.C6H8O7/c2*1-5-9(6-2,7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*5-8H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q2*+1;.
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium)?
2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium) has a molecular weight of 486.57 g/mol, XLogP of 4.92, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium) is sourced from PubChem (CID 146567573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).