tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide)

C12H32Cu3N8O4-2 — CID 5245805

IUPACtricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide)
SMILES[Cu+2].[Cu+2].[Cu+2].[NH-]CC(O)C[NH-].[NH-]CC(O)C[NH-].[NH-]CC(O)C[NH-].[NH-]CC(O)C[NH-]
InChIInChI=1S/4C3H8N2O.3Cu/c4*4-1-3(6)2-5;;;/h4*3-6H,1-2H2;;;/q4*-2;3*+2
InChIKeyAEMLECDJPOSIBD-UHFFFAOYSA-N
MW543.08 g/mol
LogP1.80
Rot. Bonds8

About tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide)

tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide) (PubChem CID 5245805) has the molecular formula C12H32Cu3N8O4-2 and a molecular weight of 543.08 g/mol. Its IUPAC name is tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide).

Molecular Properties

Compound Nametricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide)
PubChem CID5245805
Molecular FormulaC12H32Cu3N8O4-2
Molecular Weight543.08 g/mol
Exact Mass541.04
IUPAC Nametricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide)
SMILES[Cu+2].[Cu+2].[Cu+2].[NH-]CC(O)C[NH-].[NH-]CC(O)C[NH-].[NH-]CC(O)C[NH-].[NH-]CC(O)C[NH-]
InChIInChI=1S/4C3H8N2O.3Cu/c4*4-1-3(6)2-5;;;/h4*3-6H,1-2H2;;;/q4*-2;3*+2
InChIKeyAEMLECDJPOSIBD-UHFFFAOYSA-N
XLogP1.80
TPSA271.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.08
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide
CID 140645519
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
butane;2-hydroxypropylazanide;tungsten(2+)
CID 20614095
1,3-difluoropropan-2-ol
CID 159459555
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
amino-[amino(hydroxy)methoxy]methanol
CID 154164079
CID 160843248
CID 160843248
gold;propane-1,2,3-triol
CID 87239797
pentan-3-ol
CID 11428
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
(2R,3R,5R)-hexane-1,2,3,5,6-pentol
CID 6451627
2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid
CID 175152462

Frequently Asked Questions

What is the IUPAC name of tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide)?
The IUPAC name of tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide) (CID 5245805) is tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide).
What is the SMILES notation for tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide)?
The canonical SMILES for tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide) is [Cu+2].[Cu+2].[Cu+2].[NH-]CC(O)C[NH-].[NH-]CC(O)C[NH-].[NH-]CC(O)C[NH-].[NH-]CC(O)C[NH-].
What is the InChIKey of tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide)?
The InChIKey is AEMLECDJPOSIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H8N2O.3Cu/c4*4-1-3(6)2-5;;;/h4*3-6H,1-2H2;;;/q4*-2;3*+2.
What are the key properties of tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide)?
tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide) has a molecular weight of 543.08 g/mol, XLogP of 1.80, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;tetrakis((3-azanidyl-2-hydroxypropyl)azanide) is sourced from PubChem (CID 5245805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).