2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid

C5H10O6 — CID 87578762

IUPAC2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid
SMILESO=C(O)C(O)OCC(O)CO
InChIInChI=1S/C5H10O6/c6-1-3(7)2-11-5(10)4(8)9/h3,5-7,10H,1-2H2,(H,8,9)
InChIKeyFVFRZDCNHBPQEW-UHFFFAOYSA-N
MW166.13 g/mol
LogP-2.24
Rot. Bonds5

About 2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid

2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid (PubChem CID 87578762) has the molecular formula C5H10O6 and a molecular weight of 166.13 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid
PubChem CID87578762
Molecular FormulaC5H10O6
Molecular Weight166.13 g/mol
Exact Mass166.05
IUPAC Name2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid
SMILESO=C(O)C(O)OCC(O)CO
InChIInChI=1S/C5H10O6/c6-1-3(7)2-11-5(10)4(8)9/h3,5-7,10H,1-2H2,(H,8,9)
InChIKeyFVFRZDCNHBPQEW-UHFFFAOYSA-N
XLogP-2.24
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(2,3-dihydroxypropoxy)butanedioic acid
CID 174626088
1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one
CID 174650131
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552
2-[2-[2-[2-[3-[1-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yloxy]-3-[1-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(1,3-dihydroxypropan-2-yloxy)-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
CID 89349229
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
2,2,2-tris(2,3-dihydroxypropoxy)acetic acid
CID 88705292
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
2-(2,3-dihydroxypropoxy)-3,3,3-tris(2,3-dipropylaziridin-1-yl)propanoic acid
CID 154984082
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)
CID 177273999
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid (CID 87578762) is 2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid is O=C(O)C(O)OCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid?
The InChIKey is FVFRZDCNHBPQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O6/c6-1-3(7)2-11-5(10)4(8)9/h3,5-7,10H,1-2H2,(H,8,9).
What are the key properties of 2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid?
2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid has a molecular weight of 166.13 g/mol, XLogP of -2.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid is sourced from PubChem (CID 87578762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).