copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate

C6H25CuNO12S — CID 174895365

IUPACcopper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate
SMILESO.O.O.O.O.O=S(=O)([O-])[O-].OCCN(CCO)CCO.[Cu+2]
InChIInChI=1S/C6H15NO3.Cu.H2O4S.5H2O/c8-4-1-7(2-5-9)3-6-10;;1-5(2,3)4;;;;;/h8-10H,1-6H2;;(H2,1,2,3,4);5*1H2/q;+2;;;;;;/p-2
InChIKeyJBWZOBXFCGBFQQ-UHFFFAOYSA-L
MW398.87 g/mol
LogP-7.20
Rot. Bonds6

About copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate

copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate (PubChem CID 174895365) has the molecular formula C6H25CuNO12S and a molecular weight of 398.87 g/mol. Its IUPAC name is copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate.

Molecular Properties

Compound Namecopper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate
PubChem CID174895365
Molecular FormulaC6H25CuNO12S
Molecular Weight398.87 g/mol
Exact Mass398.04
IUPAC Namecopper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate
SMILESO.O.O.O.O.O=S(=O)([O-])[O-].OCCN(CCO)CCO.[Cu+2]
InChIInChI=1S/C6H15NO3.Cu.H2O4S.5H2O/c8-4-1-7(2-5-9)3-6-10;;1-5(2,3)4;;;;;/h8-10H,1-6H2;;(H2,1,2,3,4);5*1H2/q;+2;;;;;;/p-2
InChIKeyJBWZOBXFCGBFQQ-UHFFFAOYSA-L
XLogP-7.20
TPSA301.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 5-7.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
dilithium;ethane-1,2-diol;sulfate
CID 162076441
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate
CID 173310471
3-[bis(2-hydroxyethyl)amino]propanenitrile;sulfuric acid
CID 88674776
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate
CID 159119713
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
disodium;ethane-1,2-diol;sulfate
CID 158719389

Frequently Asked Questions

What is the IUPAC name of copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate?
The IUPAC name of copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate (CID 174895365) is copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate.
What is the SMILES notation for copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate?
The canonical SMILES for copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate is O.O.O.O.O.O=S(=O)([O-])[O-].OCCN(CCO)CCO.[Cu+2].
What is the InChIKey of copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate?
The InChIKey is JBWZOBXFCGBFQQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H15NO3.Cu.H2O4S.5H2O/c8-4-1-7(2-5-9)3-6-10;;1-5(2,3)4;;;;;/h8-10H,1-6H2;;(H2,1,2,3,4);5*1H2/q;+2;;;;;;/p-2.
What are the key properties of copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate?
copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate has a molecular weight of 398.87 g/mol, XLogP of -7.20, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-[bis(2-hydroxyethyl)amino]ethanol;sulfate;pentahydrate is sourced from PubChem (CID 174895365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).