copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate

C30H34CuN4O4 — CID 139177906

IUPACcopper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate
SMILESC[C@](O)(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)(O)c1ccccn1)c1ccccn1.[Cu+2]
InChIInChI=1S/2C15H17N2O2.Cu/c2*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;/h2*3-10,18H,11H2,1-2H3;/q2*-1;+2/t2*14-,15+;/m10./s1
InChIKeyLNHIAZVRCCXPIT-UUCXICLOSA-N
MW578.17 g/mol
LogP2.70
Rot. Bonds8

About copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate

copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate (PubChem CID 139177906) has the molecular formula C30H34CuN4O4 and a molecular weight of 578.17 g/mol. Its IUPAC name is copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate.

Molecular Properties

Compound Namecopper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate
PubChem CID139177906
Molecular FormulaC30H34CuN4O4
Molecular Weight578.17 g/mol
Exact Mass577.19
IUPAC Namecopper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate
SMILESC[C@](O)(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)(O)c1ccccn1)c1ccccn1.[Cu+2]
InChIInChI=1S/2C15H17N2O2.Cu/c2*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;/h2*3-10,18H,11H2,1-2H3;/q2*-1;+2/t2*14-,15+;/m10./s1
InChIKeyLNHIAZVRCCXPIT-UUCXICLOSA-N
XLogP2.70
TPSA138.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.17
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate?
The IUPAC name of copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate (CID 139177906) is copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate.
What is the SMILES notation for copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate?
The canonical SMILES for copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate is C[C@](O)(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)(O)c1ccccn1)c1ccccn1.[Cu+2].
What is the InChIKey of copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate?
The InChIKey is LNHIAZVRCCXPIT-UUCXICLOSA-N. The full InChI is InChI=1S/2C15H17N2O2.Cu/c2*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;/h2*3-10,18H,11H2,1-2H3;/q2*-1;+2/t2*14-,15+;/m10./s1.
What are the key properties of copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate?
copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate has a molecular weight of 578.17 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate is sourced from PubChem (CID 139177906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).