actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate

C6H10Ac3O6 — CID 22955416

IUPACactinium;methyl 2,3,5-trihydroxy-4-oxopentanoate
SMILESCOC(=O)C(O)C(O)C(=O)CO.[Ac].[Ac].[Ac]
InChIInChI=1S/C6H10O6.3Ac/c1-12-6(11)5(10)4(9)3(8)2-7;;;/h4-5,7,9-10H,2H2,1H3;;;
InChIKeyMRMAWXYBAQWTPE-UHFFFAOYSA-N
MW859.14 g/mol
LogP-2.56
Rot. Bonds4

About actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate

actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate (PubChem CID 22955416) has the molecular formula C6H10Ac3O6 and a molecular weight of 859.14 g/mol. Its IUPAC name is actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate.

Molecular Properties

Compound Nameactinium;methyl 2,3,5-trihydroxy-4-oxopentanoate
PubChem CID22955416
Molecular FormulaC6H10Ac3O6
Molecular Weight859.14 g/mol
Exact Mass859.13
IUPAC Nameactinium;methyl 2,3,5-trihydroxy-4-oxopentanoate
SMILESCOC(=O)C(O)C(O)C(=O)CO.[Ac].[Ac].[Ac]
InChIInChI=1S/C6H10O6.3Ac/c1-12-6(11)5(10)4(9)3(8)2-7;;;/h4-5,7,9-10H,2H2,1H3;;;
InChIKeyMRMAWXYBAQWTPE-UHFFFAOYSA-N
XLogP-2.56
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500859.14
LogP ≤ 5-2.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione
CID 59039792
1,3,4-trihydroxyhexane-2,5-dione
CID 15506784
(3R,4S)-1,3,4-trihydroxypentan-2-one
CID 101111958
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate
CID 175450123
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
methyl (2S,3R,4R)-2,3,4,5,6-pentahydroxyhexanoate
CID 122443560
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
methyl 2,4-dihydroxy-3-methyl-5-oxoheptanoate
CID 88863835
methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate
CID 24857982

Frequently Asked Questions

What is the IUPAC name of actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate?
The IUPAC name of actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate (CID 22955416) is actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate.
What is the SMILES notation for actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate?
The canonical SMILES for actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate is COC(=O)C(O)C(O)C(=O)CO.[Ac].[Ac].[Ac].
What is the InChIKey of actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate?
The InChIKey is MRMAWXYBAQWTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6.3Ac/c1-12-6(11)5(10)4(9)3(8)2-7;;;/h4-5,7,9-10H,2H2,1H3;;;.
What are the key properties of actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate?
actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate has a molecular weight of 859.14 g/mol, XLogP of -2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate is sourced from PubChem (CID 22955416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).