2-Hydroxyethanephosphonic acid

Details

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Internal ID 02d487e2-8764-4fb6-8c51-eaa88f5fa365
Taxonomy Organic acids and derivatives > Organic phosphonic acids and derivatives > Organic phosphonic acids
IUPAC Name 2-hydroxyethylphosphonic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)
InChI Key SEHJHHHUIGULEI-UHFFFAOYSA-N
Popularity 28 references in papers

Physical and Chemical Properties

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Molecular Formula C2H7O4P
Molecular Weight 126.05 g/mol
Exact Mass 126.00819570 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP -2.30

Synonyms

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(2-Hydroxyethyl)phosphonic acid
2-Hydroxyethylphosphonic acid
2-Hydroxyethanephosphonic acid
2-hydroxyethyl phosphonic acid
Phosphonic acid, (2-hydroxyethyl)-
Phosphonic acid, P-(2-hydroxyethyl)-
2-Hydroxyethylphosphonate
Ethephon-hydroxy
CHEBI:1159
CHEMBL1229938
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-Hydroxyethanephosphonic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 91.63% 97.29%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.57% 96.09%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 83.25% 94.01%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 89954
LOTUS LTS0127530
wikiData Q27105414