hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate

C12H44O28Ru4 — CID 58875440

IUPAChexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate
SMILESO.O.O.O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.[Ru].[Ru].[Ru].[Ru]
InChIInChI=1S/6C2H6O4.4H2O.4Ru/c6*3-1(4)2(5)6;;;;;;;;/h6*1-6H;4*1H2;;;;
InChIKeyGLBPKLPGUUQWHK-UHFFFAOYSA-N
MW1040.74 g/mol
LogP-17.66
Rot. Bonds6

About hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate

hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate (PubChem CID 58875440) has the molecular formula C12H44O28Ru4 and a molecular weight of 1040.74 g/mol. Its IUPAC name is hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate.

Molecular Properties

Compound Namehexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate
PubChem CID58875440
Molecular FormulaC12H44O28Ru4
Molecular Weight1040.74 g/mol
Exact Mass1043.82
IUPAC Namehexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate
SMILESO.O.O.O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.[Ru].[Ru].[Ru].[Ru]
InChIInChI=1S/6C2H6O4.4H2O.4Ru/c6*3-1(4)2(5)6;;;;;;;;/h6*1-6H;4*1H2;;;;
InChIKeyGLBPKLPGUUQWHK-UHFFFAOYSA-N
XLogP-17.66
TPSA611.52 Ų
H-Bond Donors24
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001040.74
LogP ≤ 5-17.66
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 58811114
dizinc;carbanide;ethane-1,1,2,2-tetrol
CID 59911813
dichloromethanol;hydrate
CID 90388794
ethane-1,1-diol;hydrate
CID 86643495
2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol
CID 20556668
2,2-dimethoxyethane-1,1-diol
CID 14146820
tris(propan-2-ol);titanium;hydrate
CID 22645817
ruthenium;dihydrate
CID 172843404
hexakis(ethane-1,1-diol);lanthanum;tetrahydrate
CID 5254960
hexakis(ethane-1,1-diol);zinc;hydrate
CID 177286593

Frequently Asked Questions

What is the IUPAC name of hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate?
The IUPAC name of hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate (CID 58875440) is hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate.
What is the SMILES notation for hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate?
The canonical SMILES for hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate is O.O.O.O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.OC(O)C(O)O.[Ru].[Ru].[Ru].[Ru].
What is the InChIKey of hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate?
The InChIKey is GLBPKLPGUUQWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/6C2H6O4.4H2O.4Ru/c6*3-1(4)2(5)6;;;;;;;;/h6*1-6H;4*1H2;;;;.
What are the key properties of hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate?
hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate has a molecular weight of 1040.74 g/mol, XLogP of -17.66, 6 rotatable bonds, 24 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate is sourced from PubChem (CID 58875440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).