tris(2-carboxyethyl)-hydroxyphosphanium

C9H16O7P+ — CID 87704459

IUPACtris(2-carboxyethyl)-hydroxyphosphanium
SMILESO=C(O)CC[P+](O)(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C9H15O7P/c10-7(11)1-4-17(16,5-2-8(12)13)6-3-9(14)15/h16H,1-6H2,(H2-,10,11,12,13,14,15)/p+1
InChIKeyHGPBNNNPLFDKPP-UHFFFAOYSA-O
MW267.19 g/mol
LogP0.34
Rot. Bonds9

About tris(2-carboxyethyl)-hydroxyphosphanium

tris(2-carboxyethyl)-hydroxyphosphanium (PubChem CID 87704459) has the molecular formula C9H16O7P+ and a molecular weight of 267.19 g/mol. Its IUPAC name is tris(2-carboxyethyl)-hydroxyphosphanium.

Molecular Properties

Compound Nametris(2-carboxyethyl)-hydroxyphosphanium
PubChem CID87704459
Molecular FormulaC9H16O7P+
Molecular Weight267.19 g/mol
Exact Mass267.06
IUPAC Nametris(2-carboxyethyl)-hydroxyphosphanium
SMILESO=C(O)CC[P+](O)(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C9H15O7P/c10-7(11)1-4-17(16,5-2-8(12)13)6-3-9(14)15/h16H,1-6H2,(H2-,10,11,12,13,14,15)/p+1
InChIKeyHGPBNNNPLFDKPP-UHFFFAOYSA-O
XLogP0.34
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 50.34
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

4,7,10-trihydroxytridecanedioic acid
CID 174508120
5,5-dihydroxypentanoic acid
CID 57194054
4-chloro-4-hydroxybutanoic acid
CID 87098344
tris(2-carboxyethyl)-[tris(2-carboxyethyl)phosphaniumyldisulfanyl]phosphanium
CID 155026460
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
5-sulfanyl-4-(sulfanylmethyl)pentanoic acid
CID 57279279
bis(butanedioic acid);carbonic acid
CID 159577506
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561

Frequently Asked Questions

What is the IUPAC name of tris(2-carboxyethyl)-hydroxyphosphanium?
The IUPAC name of tris(2-carboxyethyl)-hydroxyphosphanium (CID 87704459) is tris(2-carboxyethyl)-hydroxyphosphanium.
What is the SMILES notation for tris(2-carboxyethyl)-hydroxyphosphanium?
The canonical SMILES for tris(2-carboxyethyl)-hydroxyphosphanium is O=C(O)CC[P+](O)(CCC(=O)O)CCC(=O)O.
What is the InChIKey of tris(2-carboxyethyl)-hydroxyphosphanium?
The InChIKey is HGPBNNNPLFDKPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15O7P/c10-7(11)1-4-17(16,5-2-8(12)13)6-3-9(14)15/h16H,1-6H2,(H2-,10,11,12,13,14,15)/p+1.
What are the key properties of tris(2-carboxyethyl)-hydroxyphosphanium?
tris(2-carboxyethyl)-hydroxyphosphanium has a molecular weight of 267.19 g/mol, XLogP of 0.34, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-carboxyethyl)-hydroxyphosphanium is sourced from PubChem (CID 87704459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).