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

C8H14AcO4S — CID 59070581

IUPACactinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate
SMILESCCCC(=O)OC[C@@H]1OC(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;/t7?,8-;/m1./s1
InChIKeySQGIGEXTAKLSLL-LTTWWRRRSA-N
MW433.26 g/mol
LogP0.74
Rot. Bonds4

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

actinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate (PubChem CID 59070581) has the molecular formula C8H14AcO4S and a molecular weight of 433.26 g/mol. Its IUPAC name is actinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate.

Molecular Properties

Compound Nameactinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate
PubChem CID59070581
Molecular FormulaC8H14AcO4S
Molecular Weight433.26 g/mol
Exact Mass433.09
IUPAC Nameactinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate
SMILESCCCC(=O)OC[C@@H]1OC(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;/t7?,8-;/m1./s1
InChIKeySQGIGEXTAKLSLL-LTTWWRRRSA-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

[(2S)-5-acetyloxy-1,3-oxathiolan-2-yl]methyl butanoate
CID 11118412
[(2R,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl butanoate
CID 12071193
[(2R,3S,4R,6S)-3-butanoyloxy-4,6-dihydroxyoxan-2-yl]methyl butanoate
CID 86272045
[(2R,3S,4R)-3,4-di(butanoyloxy)-6-hydroxyoxan-2-yl]methyl butanoate
CID 151310518
oxetan-2-ylmethyl butanoate
CID 150335397
[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
CID 118169205
(5-butanoyloxyoxolan-2-yl)methyl butanoate
CID 144971535
[(2R,3R,4R)-3,4,5-tri(butanoyloxy)oxolan-2-yl]methyl butanoate
CID 130188370
[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213
[(2R,3S,4S,5R,6R)-3,4,5,6-tetra(butanoyloxy)oxan-2-yl]methyl butanoate
CID 3079328
[(2S,5R)-5-acetyloxy-1,3-oxathiolan-2-yl]methyl acetate
CID 54269499
(3-ethyloxetan-2-yl)methyl butanoate
CID 141089852

Frequently Asked Questions

What is the IUPAC name of actinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate?
The IUPAC name of actinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate (CID 59070581) is actinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate.
What is the SMILES notation for actinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate?
The canonical SMILES for actinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate is CCCC(=O)OC[C@@H]1OC(O)CS1.[Ac].
What is the InChIKey of actinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate?
The InChIKey is SQGIGEXTAKLSLL-LTTWWRRRSA-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;/t7?,8-;/m1./s1.
What are the key properties of actinium;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate?
actinium;[(2R)-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;[(2R)-5-hydroxy-1,3-oxathiolan-2-yl]methyl butanoate is sourced from PubChem (CID 59070581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).