(R)-Methyl 2,3-dihydroxypropanoate

Details

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Internal ID c776e39f-f85e-43da-8e75-c44b94036ca6
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar acids and derivatives
IUPAC Name methyl (2R)-2,3-dihydroxypropanoate
SMILES (Canonical) COC(=O)C(CO)O
SMILES (Isomeric) COC(=O)[C@@H](CO)O
InChI InChI=1S/C4H8O4/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3/t3-/m1/s1
InChI Key COFCNNXZXGCREM-GSVOUGTGSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C4H8O4
Molecular Weight 120.10 g/mol
Exact Mass 120.04225873 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP -1.20

Synonyms

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18289-89-9
Propanoic acid, 2,3-dihydroxy-, methyl ester, (2R)-
METHYL (2R)-2,3-DIHYDROXYPROPANOATE
Methyl (R)-2,3-dihydroxypropanoate
82142-72-1
MFCD06204263
(R)-methyl glycerate
(r)-glyceric acid methyl ester
SCHEMBL10535243
COFCNNXZXGCREM-GSVOUGTGSA-N
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (R)-Methyl 2,3-dihydroxypropanoate

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 96.30% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.48% 99.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.58% 85.14%
CHEMBL2581 P07339 Cathepsin D 84.77% 98.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 84.19% 100.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.91% 94.33%
CHEMBL4040 P28482 MAP kinase ERK2 83.89% 83.82%
CHEMBL340 P08684 Cytochrome P450 3A4 83.47% 91.19%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.20% 94.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 80.24% 97.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.19% 96.95%

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.
Broussonetia papyrifera

Cross-Links

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PubChem 9920382
LOTUS LTS0119198
wikiData Q104966831