3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid

C7H16O7 — CID 174848514

IUPAC3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid
SMILESO=CO.OCC(O)COCC(O)CO
InChIInChI=1S/C6H14O5.CH2O2/c7-1-5(9)3-11-4-6(10)2-8;2-1-3/h5-10H,1-4H2;1H,(H,2,3)
InChIKeyUFDZLPQBEPPOKW-UHFFFAOYSA-N
MW212.20 g/mol
LogP-2.59
Rot. Bonds6

About 3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid

3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid (PubChem CID 174848514) has the molecular formula C7H16O7 and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid
PubChem CID174848514
Molecular FormulaC7H16O7
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC Name3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid
SMILESO=CO.OCC(O)COCC(O)CO
InChIInChI=1S/C6H14O5.CH2O2/c7-1-5(9)3-11-4-6(10)2-8;2-1-3/h5-10H,1-4H2;1H,(H,2,3)
InChIKeyUFDZLPQBEPPOKW-UHFFFAOYSA-N
XLogP-2.59
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
3-(2-amino-2-hydroxyethoxy)propane-1,2-diol
CID 87602858
formyl 2-(2,3-dihydroxypropoxy)acetate
CID 87900823
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 54295342
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
3-(sulfanylmethoxy)propane-1,2-diol
CID 87475108
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid?
The IUPAC name of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid (CID 174848514) is 3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid.
What is the SMILES notation for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid?
The canonical SMILES for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid is O=CO.OCC(O)COCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid?
The InChIKey is UFDZLPQBEPPOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5.CH2O2/c7-1-5(9)3-11-4-6(10)2-8;2-1-3/h5-10H,1-4H2;1H,(H,2,3).
What are the key properties of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid?
3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid has a molecular weight of 212.20 g/mol, XLogP of -2.59, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid is sourced from PubChem (CID 174848514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).