actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate

C8H14AcO4S — CID 20593349

IUPACactinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate
SMILESCCCC(=O)OCC1OC(O)CS1.[Ac]
InChIInChI=1S/C8H14O4S.Ac/c1-2-3-6(9)11-4-8-12-7(10)5-13-8;/h7-8,10H,2-5H2,1H3;
InChIKeySQGIGEXTAKLSLL-UHFFFAOYSA-N
MW433.26 g/mol
LogP0.74
Rot. Bonds4

About actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate

actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate (PubChem CID 20593349) has the molecular formula C8H14AcO4S and a molecular weight of 433.26 g/mol. Its IUPAC name is actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate.

Molecular Properties

Compound Nameactinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate
PubChem CID20593349
Molecular FormulaC8H14AcO4S
Molecular Weight433.26 g/mol
Exact Mass433.09
IUPAC Nameactinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate
SMILESCCCC(=O)OCC1OC(O)CS1.[Ac]
InChIInChI=1S/C8H14O4S.Ac/c1-2-3-6(9)11-4-8-12-7(10)5-13-8;/h7-8,10H,2-5H2,1H3;
InChIKeySQGIGEXTAKLSLL-UHFFFAOYSA-N
XLogP0.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-acetyloxy-1,3-oxathiolan-2-yl)methyl Butanoate
CID 11379646
[(2S,5R)-5-acetyloxy-1,3-oxathiolan-2-yl]methyl butanoate
CID 86306638
[(2R)-5-acetyloxy-1,3-oxathiolan-2-yl]methyl butanoate
CID 11390993
[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl] acetate
CID 22607110
[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] acetate
CID 22869481
[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] acetate
CID 54074231
actinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate
CID 59070581
[(2R,5S)-5-acetyloxy-1,3-oxathiolan-2-yl]methyl butanoate
CID 68343908
trans-2-Hydroxymethyl-5-acetoxy-1,3-oxathiolane
CID 69946895
(5-Acetyloxy-1,3-oxathiolan-2-yl)methyl propanoate
CID 69985249
Methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate
CID 134310308
(5-Butanoyloxy-1,3-oxathiolan-2-yl)methyl butanoate
CID 141749452

Frequently Asked Questions

What is the IUPAC name of actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate?
The IUPAC name of actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate (CID 20593349) is actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate.
What is the SMILES notation for actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate?
The canonical SMILES for actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate is CCCC(=O)OCC1OC(O)CS1.[Ac].
What is the InChIKey of actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate?
The InChIKey is SQGIGEXTAKLSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S.Ac/c1-2-3-6(9)11-4-8-12-7(10)5-13-8;/h7-8,10H,2-5H2,1H3;.
What are the key properties of actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate?
actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate has a molecular weight of 433.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(5-hydroxy-1,3-oxathiolan-2-yl)methyl butanoate is sourced from PubChem (CID 20593349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).