2,2,2-tris(2,3-dihydroxypropoxy)acetic acid

C11H22O11 — CID 88705292

IUPAC2,2,2-tris(2,3-dihydroxypropoxy)acetic acid
SMILESO=C(O)C(OCC(O)CO)(OCC(O)CO)OCC(O)CO
InChIInChI=1S/C11H22O11/c12-1-7(15)4-20-11(10(18)19,21-5-8(16)2-13)22-6-9(17)3-14/h7-9,12-17H,1-6H2,(H,18,19)
InChIKeyAFMSXJOQDOWZDP-UHFFFAOYSA-N
MW330.29 g/mol
LogP-4.17
Rot. Bonds13

About 2,2,2-tris(2,3-dihydroxypropoxy)acetic acid

2,2,2-tris(2,3-dihydroxypropoxy)acetic acid (PubChem CID 88705292) has the molecular formula C11H22O11 and a molecular weight of 330.29 g/mol. Its IUPAC name is 2,2,2-tris(2,3-dihydroxypropoxy)acetic acid.

Molecular Properties

Compound Name2,2,2-tris(2,3-dihydroxypropoxy)acetic acid
PubChem CID88705292
Molecular FormulaC11H22O11
Molecular Weight330.29 g/mol
Exact Mass330.12
IUPAC Name2,2,2-tris(2,3-dihydroxypropoxy)acetic acid
SMILESO=C(O)C(OCC(O)CO)(OCC(O)CO)OCC(O)CO
InChIInChI=1S/C11H22O11/c12-1-7(15)4-20-11(10(18)19,21-5-8(16)2-13)22-6-9(17)3-14/h7-9,12-17H,1-6H2,(H,18,19)
InChIKeyAFMSXJOQDOWZDP-UHFFFAOYSA-N
XLogP-4.17
TPSA186.37 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.29
LogP ≤ 5-4.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol
CID 22994800
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
2,3-bis(2,3-dihydroxypropoxy)butanedioic acid
CID 174626088
2-[3-[carboxy(dichloro)methoxy]-2-hydroxypropoxy]-2,2-dichloroacetic acid
CID 87399658
2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid
CID 87578762
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one
CID 174650131
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
[1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid
CID 174675180
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
3-(2-methylbut-3-en-2-yloxy)propane-1,2-diol
CID 171441788
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tris(2,3-dihydroxypropoxy)acetic acid?
The IUPAC name of 2,2,2-tris(2,3-dihydroxypropoxy)acetic acid (CID 88705292) is 2,2,2-tris(2,3-dihydroxypropoxy)acetic acid.
What is the SMILES notation for 2,2,2-tris(2,3-dihydroxypropoxy)acetic acid?
The canonical SMILES for 2,2,2-tris(2,3-dihydroxypropoxy)acetic acid is O=C(O)C(OCC(O)CO)(OCC(O)CO)OCC(O)CO.
What is the InChIKey of 2,2,2-tris(2,3-dihydroxypropoxy)acetic acid?
The InChIKey is AFMSXJOQDOWZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O11/c12-1-7(15)4-20-11(10(18)19,21-5-8(16)2-13)22-6-9(17)3-14/h7-9,12-17H,1-6H2,(H,18,19).
What are the key properties of 2,2,2-tris(2,3-dihydroxypropoxy)acetic acid?
2,2,2-tris(2,3-dihydroxypropoxy)acetic acid has a molecular weight of 330.29 g/mol, XLogP of -4.17, 13 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tris(2,3-dihydroxypropoxy)acetic acid is sourced from PubChem (CID 88705292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).