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

C30H30O7P2 — CID 172800444

IUPACbis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.C6H8O7/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*1-10,13H;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyQUDRRYHKFMDSJL-UHFFFAOYSA-N
MW564.51 g/mol
LogP3.38
Rot. Bonds9

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

bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 172800444) has the molecular formula C30H30O7P2 and a molecular weight of 564.51 g/mol. Its IUPAC name is bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namebis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID172800444
Molecular FormulaC30H30O7P2
Molecular Weight564.51 g/mol
Exact Mass564.15
IUPAC Namebis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.C6H8O7/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*1-10,13H;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyQUDRRYHKFMDSJL-UHFFFAOYSA-N
XLogP3.38
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.51
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid (CID 172800444) is bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is QUDRRYHKFMDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11P.C6H8O7/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*1-10,13H;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid?
bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 564.51 g/mol, XLogP of 3.38, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 172800444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).