formyl 2-(2,3-dihydroxypropoxy)acetate

C6H10O6 — CID 87900823

IUPACformyl 2-(2,3-dihydroxypropoxy)acetate
SMILESO=COC(=O)COCC(O)CO
InChIInChI=1S/C6H10O6/c7-1-5(9)2-11-3-6(10)12-4-8/h4-5,7,9H,1-3H2
InChIKeyAGCLFVCEVOPYOJ-UHFFFAOYSA-N
MW178.14 g/mol
LogP-1.94
Rot. Bonds6

About formyl 2-(2,3-dihydroxypropoxy)acetate

formyl 2-(2,3-dihydroxypropoxy)acetate (PubChem CID 87900823) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is formyl 2-(2,3-dihydroxypropoxy)acetate.

Molecular Properties

Compound Nameformyl 2-(2,3-dihydroxypropoxy)acetate
PubChem CID87900823
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Nameformyl 2-(2,3-dihydroxypropoxy)acetate
SMILESO=COC(=O)COCC(O)CO
InChIInChI=1S/C6H10O6/c7-1-5(9)2-11-3-6(10)12-4-8/h4-5,7,9H,1-3H2
InChIKeyAGCLFVCEVOPYOJ-UHFFFAOYSA-N
XLogP-1.94
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2,3-dihydroxypropoxy)acetate
CID 57225948
3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid
CID 174848514
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
[2-(2,3-dihydroxypropoxy)acetyl] octadecanoate
CID 118221493
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
3-[6-(2,3-dihydroxypropoxy)-2,3,4,5-tetraiodohexa-2,4-dienoxy]propane-1,2-diol
CID 85076926
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738

Frequently Asked Questions

What is the IUPAC name of formyl 2-(2,3-dihydroxypropoxy)acetate?
The IUPAC name of formyl 2-(2,3-dihydroxypropoxy)acetate (CID 87900823) is formyl 2-(2,3-dihydroxypropoxy)acetate.
What is the SMILES notation for formyl 2-(2,3-dihydroxypropoxy)acetate?
The canonical SMILES for formyl 2-(2,3-dihydroxypropoxy)acetate is O=COC(=O)COCC(O)CO.
What is the InChIKey of formyl 2-(2,3-dihydroxypropoxy)acetate?
The InChIKey is AGCLFVCEVOPYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-5(9)2-11-3-6(10)12-4-8/h4-5,7,9H,1-3H2.
What are the key properties of formyl 2-(2,3-dihydroxypropoxy)acetate?
formyl 2-(2,3-dihydroxypropoxy)acetate has a molecular weight of 178.14 g/mol, XLogP of -1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formyl 2-(2,3-dihydroxypropoxy)acetate is sourced from PubChem (CID 87900823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).