[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate

C6H12O4 — CID 167060953

IUPAC[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
SMILESC[C@H](CO)OC(=O)[C@H](C)O
InChIInChI=1S/C6H12O4/c1-4(3-7)10-6(9)5(2)8/h4-5,7-8H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyGYJYICVTDAAWHC-UHNVWZDZSA-N
MW148.16 g/mol
LogP-0.71
Rot. Bonds3

About [(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate

[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate (PubChem CID 167060953) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is [(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Name[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
PubChem CID167060953
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
SMILESC[C@H](CO)OC(=O)[C@H](C)O
InChIInChI=1S/C6H12O4/c1-4(3-7)10-6(9)5(2)8/h4-5,7-8H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyGYJYICVTDAAWHC-UHNVWZDZSA-N
XLogP-0.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxypropan-2-yl 2-bromo-2-hydroxyacetate
CID 3023842
2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium
CID 177415115
bis(1-hydroxypropan-2-yl) carbonate
CID 87589930
pent-4-yn-2-yl (2S)-2-hydroxypropanoate
CID 131206663
2-[2-[2-(2-hydroxypropanoyloxy)propoxy]propoxy]propyl 2-hydroxypropanoate
CID 87122386
2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate
CID 118649421
decan-2-yl 2-hydroxypropanoate
CID 118918104
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297
1-chloroethyl 2-hydroxypropanoate
CID 151805922
1-hydroxypropan-2-yl hydrogen carbonate;methane;propane-1,2,3-triol;hydrate
CID 160712478
[2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate
CID 76972802
[(2S,3R,4R)-3-acetyloxy-4,5-dihydroxy-1-oxopentan-2-yl] 2-hydroxypropanoate
CID 173208423

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate?
The IUPAC name of [(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate (CID 167060953) is [(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate.
What is the SMILES notation for [(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate?
The canonical SMILES for [(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate is C[C@H](CO)OC(=O)[C@H](C)O.
What is the InChIKey of [(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate?
The InChIKey is GYJYICVTDAAWHC-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H12O4/c1-4(3-7)10-6(9)5(2)8/h4-5,7-8H,3H2,1-2H3/t4-,5+/m1/s1.
What are the key properties of [(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate?
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate has a molecular weight of 148.16 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate is sourced from PubChem (CID 167060953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).