2-hydroxypropanoic acid;propane-1,2-diol

C6H14O5 — CID 87142668

IUPAC2-hydroxypropanoic acid;propane-1,2-diol
SMILESCC(O)C(=O)O.CC(O)CO
InChIInChI=1S/C3H6O3.C3H8O2/c1-2(4)3(5)6;1-3(5)2-4/h2,4H,1H3,(H,5,6);3-5H,2H2,1H3
InChIKeyMRXUUQQDQMYXNG-UHFFFAOYSA-N
MW166.17 g/mol
LogP-1.19
Rot. Bonds2

About 2-hydroxypropanoic acid;propane-1,2-diol

2-hydroxypropanoic acid;propane-1,2-diol (PubChem CID 87142668) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;propane-1,2-diol.

Molecular Properties

Compound Name2-hydroxypropanoic acid;propane-1,2-diol
PubChem CID87142668
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name2-hydroxypropanoic acid;propane-1,2-diol
SMILESCC(O)C(=O)O.CC(O)CO
InChIInChI=1S/C3H6O3.C3H8O2/c1-2(4)3(5)6;1-3(5)2-4/h2,4H,1H3,(H,5,6);3-5H,2H2,1H3
InChIKeyMRXUUQQDQMYXNG-UHFFFAOYSA-N
XLogP-1.19
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

carbonic acid;(2S)-propane-1,2-diol
CID 70700046
2-hydroxypropanoic acid
CID 87075455
carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
CID 157221053
carbonic acid;ethane-1,2-diol;propane-1,2-diol
CID 175558536
ethanol;2-hydroxypropanoic acid;zinc
CID 162356174
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 11776805
CID 11776805
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
2-hydroxypropanoic acid;mercury
CID 88512020
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
CID 123133976
CID 123133976

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;propane-1,2-diol?
The IUPAC name of 2-hydroxypropanoic acid;propane-1,2-diol (CID 87142668) is 2-hydroxypropanoic acid;propane-1,2-diol.
What is the SMILES notation for 2-hydroxypropanoic acid;propane-1,2-diol?
The canonical SMILES for 2-hydroxypropanoic acid;propane-1,2-diol is CC(O)C(=O)O.CC(O)CO.
What is the InChIKey of 2-hydroxypropanoic acid;propane-1,2-diol?
The InChIKey is MRXUUQQDQMYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C3H8O2/c1-2(4)3(5)6;1-3(5)2-4/h2,4H,1H3,(H,5,6);3-5H,2H2,1H3.
What are the key properties of 2-hydroxypropanoic acid;propane-1,2-diol?
2-hydroxypropanoic acid;propane-1,2-diol has a molecular weight of 166.17 g/mol, XLogP of -1.19, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;propane-1,2-diol is sourced from PubChem (CID 87142668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).