copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate

C8H32Cu2Mn3O16S8-8 — CID 5252299

IUPACcopper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate
SMILESO.O.O.O.O.O.O.O.OC([S-])C(O)[S-].OC([S-])C(O)[S-].OC([S-])C(O)[S-].OC([S-])C(O)[S-].[Cu].[Cu].[Mn].[Mn].[Mn]
InChIInChI=1S/4C2H6O2S2.2Cu.3Mn.8H2O/c4*3-1(5)2(4)6;;;;;;;;;;;;;/h4*1-6H;;;;;;8*1H2/p-8
InChIKeyCKRFVAUZDYLTKA-UHFFFAOYSA-F
MW932.77 g/mol
LogP-11.74
Rot. Bonds4

About copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate

copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate (PubChem CID 5252299) has the molecular formula C8H32Cu2Mn3O16S8-8 and a molecular weight of 932.77 g/mol. Its IUPAC name is copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate.

Molecular Properties

Compound Namecopper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate
PubChem CID5252299
Molecular FormulaC8H32Cu2Mn3O16S8-8
Molecular Weight932.77 g/mol
Exact Mass930.62
IUPAC Namecopper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate
SMILESO.O.O.O.O.O.O.O.OC([S-])C(O)[S-].OC([S-])C(O)[S-].OC([S-])C(O)[S-].OC([S-])C(O)[S-].[Cu].[Cu].[Mn].[Mn].[Mn]
InChIInChI=1S/4C2H6O2S2.2Cu.3Mn.8H2O/c4*3-1(5)2(4)6;;;;;;;;;;;;;/h4*1-6H;;;;;;8*1H2/p-8
InChIKeyCKRFVAUZDYLTKA-UHFFFAOYSA-F
XLogP-11.74
TPSA413.84 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500932.77
LogP ≤ 5-11.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate
CID 58875440
ethane-1,1-diol;hydrate
CID 86643495
carbanylium;copper;ethane-1,1,2,2-tetrol
CID 58811114
dichloromethanol;hydrate
CID 90388794
azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate
CID 6393939
hexakis(ethane-1,1-diol);lanthanum;tetrahydrate
CID 5254960
copper;manganese
CID 175900529
tris(propan-2-ol);titanium;hydrate
CID 22645817
hexakis(ethane-1,1-diol);zinc;hydrate
CID 177286593
propan-2-ol;dihydrate;trihydrochloride
CID 172856873
tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
CID 6395069
nickel;tetrahydroxyphosphanium
CID 175076468

Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate?
The IUPAC name of copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate (CID 5252299) is copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate.
What is the SMILES notation for copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate?
The canonical SMILES for copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate is O.O.O.O.O.O.O.O.OC([S-])C(O)[S-].OC([S-])C(O)[S-].OC([S-])C(O)[S-].OC([S-])C(O)[S-].[Cu].[Cu].[Mn].[Mn].[Mn].
What is the InChIKey of copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate?
The InChIKey is CKRFVAUZDYLTKA-UHFFFAOYSA-F. The full InChI is InChI=1S/4C2H6O2S2.2Cu.3Mn.8H2O/c4*3-1(5)2(4)6;;;;;;;;;;;;;/h4*1-6H;;;;;;8*1H2/p-8.
What are the key properties of copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate?
copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate has a molecular weight of 932.77 g/mol, XLogP of -11.74, 4 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate is sourced from PubChem (CID 5252299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).