Methyl dihydrogen phosphate

Details

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Internal ID d0f54423-959c-425b-b36b-1023628d6ecf
Taxonomy Organic acids and derivatives > Organic phosphoric acids and derivatives > Phosphate esters > Alkyl phosphates > Monoalkyl phosphates
IUPAC Name methyl dihydrogen phosphate
SMILES (Canonical) COP(=O)(O)O
SMILES (Isomeric) COP(=O)(O)O
InChI InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)
InChI Key CAAULPUQFIIOTL-UHFFFAOYSA-N
Popularity 390 references in papers

Physical and Chemical Properties

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Molecular Formula CH5O4P
Molecular Weight 112.02 g/mol
Exact Mass 111.99254563 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP -1.60

Synonyms

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Methylphosphate
O-Methyl phosphate
Monomethyl phosphate
812-00-0
Monomethyl dihydrogen phosphate
Dihydrogen methyl phosphate
Phosphoric acid, monomethyl ester
Monomethylphosphate
Phosphoric acid monomethyl ester
methanolphosphate
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Methyl dihydrogen phosphate

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.50% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.66% 97.29%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 82.67% 94.01%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Arabidopsis thaliana
Lotus corniculatus subsp. corniculatus
Lotus tenuis

Cross-Links

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PubChem 13130
LOTUS LTS0229502
wikiData Q23993898