[(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate

C12H18O8 — CID 139213145

IUPAC[(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
SMILESC[C@H](C=O)OC(=O)[C@@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)O
InChIInChI=1S/C12H18O8/c1-6(5-13)18-11(16)8(3)20-12(17)9(4)19-10(15)7(2)14/h5-9,14H,1-4H3/t6-,7+,8-,9+/m1/s1
InChIKeyHOHLIAKLAYTWFZ-XAVMHZPKSA-N
MW290.27 g/mol
LogP-0.64
Rot. Bonds7

About [(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate

[(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate (PubChem CID 139213145) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
PubChem CID139213145
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name[(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
SMILESC[C@H](C=O)OC(=O)[C@@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)O
InChIInChI=1S/C12H18O8/c1-6(5-13)18-11(16)8(3)20-12(17)9(4)19-10(15)7(2)14/h5-9,14H,1-4H3/t6-,7+,8-,9+/m1/s1
InChIKeyHOHLIAKLAYTWFZ-XAVMHZPKSA-N
XLogP-0.64
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate
CID 153467290
[(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate
CID 146437962
[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 171574306
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-hydroxypropanoate
CID 58669031
2-[(2R)-2-hydroxypropanoyl]oxypropanoic acid
CID 54178313
(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964
[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate
CID 11962000
potassium;hydride;2-(2-hydroxypropanoyloxy)propanoic acid
CID 173006474
1-oxopropan-2-yl 2-oxoacetate
CID 129299934
1-oxopropan-2-yloxycarbonyl acetate
CID 57152408
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate?
The IUPAC name of [(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate (CID 139213145) is [(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate.
What is the SMILES notation for [(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate?
The canonical SMILES for [(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate is C[C@H](C=O)OC(=O)[C@@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)O.
What is the InChIKey of [(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate?
The InChIKey is HOHLIAKLAYTWFZ-XAVMHZPKSA-N. The full InChI is InChI=1S/C12H18O8/c1-6(5-13)18-11(16)8(3)20-12(17)9(4)19-10(15)7(2)14/h5-9,14H,1-4H3/t6-,7+,8-,9+/m1/s1.
What are the key properties of [(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate?
[(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate has a molecular weight of 290.27 g/mol, XLogP of -0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate is sourced from PubChem (CID 139213145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).