1-phosphanylpropane-1,2,3-tricarboxylic acid

C6H9O6P — CID 57174577

IUPAC1-phosphanylpropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(C(=O)O)C(P)C(=O)O
InChIInChI=1S/C6H9O6P/c7-3(8)1-2(5(9)10)4(13)6(11)12/h2,4H,1,13H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyRZPXZVDBTYPTLS-UHFFFAOYSA-N
MW208.11 g/mol
LogP-0.51
Rot. Bonds5

About 1-phosphanylpropane-1,2,3-tricarboxylic acid

1-phosphanylpropane-1,2,3-tricarboxylic acid (PubChem CID 57174577) has the molecular formula C6H9O6P and a molecular weight of 208.11 g/mol. Its IUPAC name is 1-phosphanylpropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name1-phosphanylpropane-1,2,3-tricarboxylic acid
PubChem CID57174577
Molecular FormulaC6H9O6P
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name1-phosphanylpropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(C(=O)O)C(P)C(=O)O
InChIInChI=1S/C6H9O6P/c7-3(8)1-2(5(9)10)4(13)6(11)12/h2,4H,1,13H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyRZPXZVDBTYPTLS-UHFFFAOYSA-N
XLogP-0.51
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phosphanylbutane-1,2,4-tricarboxylic acid
CID 15549084
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
2-(dimethoxymethyl)butanedioic acid
CID 139917524
2-phosphanylbutanedioic acid
CID 19911180
(1S)-1-aminopropane-1,2,3-tricarboxylic acid
CID 20605454
1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 141140377
1-fluoropropane-1,2,3-tricarboxylic acid
CID 71324460
4-aminobutane-1,2,3-tricarboxylic acid
CID 88712271
2-(1,2-dihydroxypropyl)butanedioic acid
CID 123477214
hexane-1,2,3,6-tetracarboxylic acid
CID 57214817
3-methylhexane-1,2,4-tricarboxylic acid
CID 175281734
(2R,3R)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;(2S,3R)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;(2R,3S)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;(2S,3S)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;methane
CID 158909467

Frequently Asked Questions

What is the IUPAC name of 1-phosphanylpropane-1,2,3-tricarboxylic acid?
The IUPAC name of 1-phosphanylpropane-1,2,3-tricarboxylic acid (CID 57174577) is 1-phosphanylpropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 1-phosphanylpropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 1-phosphanylpropane-1,2,3-tricarboxylic acid is O=C(O)CC(C(=O)O)C(P)C(=O)O.
What is the InChIKey of 1-phosphanylpropane-1,2,3-tricarboxylic acid?
The InChIKey is RZPXZVDBTYPTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O6P/c7-3(8)1-2(5(9)10)4(13)6(11)12/h2,4H,1,13H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 1-phosphanylpropane-1,2,3-tricarboxylic acid?
1-phosphanylpropane-1,2,3-tricarboxylic acid has a molecular weight of 208.11 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanylpropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 57174577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).