actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione

C6H10Ac3O5 — CID 59039792

IUPACactinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione
SMILESCC(=O)[C@H](O)[C@@H](O)C(=O)CO.[Ac].[Ac].[Ac]
InChIInChI=1S/C6H10O5.3Ac/c1-3(8)5(10)6(11)4(9)2-7;;;/h5-7,10-11H,2H2,1H3;;;/t5-,6-;;;/m0.../s1
InChIKeyARBMLMRFMDPEAQ-VDBFCSKJSA-N
MW843.14 g/mol
LogP-2.14
Rot. Bonds4

About actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione

actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione (PubChem CID 59039792) has the molecular formula C6H10Ac3O5 and a molecular weight of 843.14 g/mol. Its IUPAC name is actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione.

Molecular Properties

Compound Nameactinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione
PubChem CID59039792
Molecular FormulaC6H10Ac3O5
Molecular Weight843.14 g/mol
Exact Mass843.14
IUPAC Nameactinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione
SMILESCC(=O)[C@H](O)[C@@H](O)C(=O)CO.[Ac].[Ac].[Ac]
InChIInChI=1S/C6H10O5.3Ac/c1-3(8)5(10)6(11)4(9)2-7;;;/h5-7,10-11H,2H2,1H3;;;/t5-,6-;;;/m0.../s1
InChIKeyARBMLMRFMDPEAQ-VDBFCSKJSA-N
XLogP-2.14
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500843.14
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,4-trihydroxyhexane-2,5-dione
CID 15506784
actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate
CID 22955416
(3R,4R,5Z)-3,4,6-trihydroxy-5-hydroxyiminohexan-2-one
CID 59039789
(3R,4S)-1,3,4-trihydroxypentan-2-one
CID 101111958
4-ethyl-1,3-dihydroxyhexan-2-one
CID 174421327
(3R,4R)-1,3,4-trihydroxyhexan-2-one
CID 101111963
(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 90469716
(3S,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 118855885
(3S,4R,5R)-6-amino-1,3,4,5,6-pentahydroxyhexan-2-one
CID 88743372
(3R,4R)-1,3,4-trihydroxy-5,5-dimethylhexan-2-one
CID 101111956
(3S)-5-fluoro-1,3,4-trihydroxypentan-2-one
CID 130737250
3-chloro-1-hydroxypentane-2,4-dione
CID 167631445

Frequently Asked Questions

What is the IUPAC name of actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione?
The IUPAC name of actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione (CID 59039792) is actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione.
What is the SMILES notation for actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione?
The canonical SMILES for actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione is CC(=O)[C@H](O)[C@@H](O)C(=O)CO.[Ac].[Ac].[Ac].
What is the InChIKey of actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione?
The InChIKey is ARBMLMRFMDPEAQ-VDBFCSKJSA-N. The full InChI is InChI=1S/C6H10O5.3Ac/c1-3(8)5(10)6(11)4(9)2-7;;;/h5-7,10-11H,2H2,1H3;;;/t5-,6-;;;/m0.../s1.
What are the key properties of actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione?
actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione has a molecular weight of 843.14 g/mol, XLogP of -2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione is sourced from PubChem (CID 59039792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).