copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate

C22H50Cl2CuN6O11Sn+4 — CID 77050720

IUPACcopper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate
SMILESC1CNCCN1.C1CNCCN1.O.OC[C@@H]1O[C@H](NCCN[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O.[Cl-].[Cl-].[Cu+2].[Sn+4]
InChIInChI=1S/C14H28N2O10.2C4H10N2.2ClH.Cu.H2O.Sn/c17-3-5-7(19)9(21)11(23)13(25-5)15-1-2-16-14-12(24)10(22)8(20)6(4-18)26-14;2*1-2-6-4-3-5-1;;;;;/h5-24H,1-4H2;2*5-6H,1-4H2;2*1H;;1H2;/q;;;;;+2;;+4/p-2/t5-,6+,7-,8+,9-,10+,11-,12+,13-,14+;;;;;;;
InChIKeyLBEKARONYKITHK-IEWPMAHUSA-L
MW827.84 g/mol
LogP-15.08
Rot. Bonds7

About copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate

copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate (PubChem CID 77050720) has the molecular formula C22H50Cl2CuN6O11Sn+4 and a molecular weight of 827.84 g/mol. Its IUPAC name is copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate.

Molecular Properties

Compound Namecopper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate
PubChem CID77050720
Molecular FormulaC22H50Cl2CuN6O11Sn+4
Molecular Weight827.84 g/mol
Exact Mass827.12
IUPAC Namecopper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate
SMILESC1CNCCN1.C1CNCCN1.O.OC[C@@H]1O[C@H](NCCN[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O.[Cl-].[Cl-].[Cu+2].[Sn+4]
InChIInChI=1S/C14H28N2O10.2C4H10N2.2ClH.Cu.H2O.Sn/c17-3-5-7(19)9(21)11(23)13(25-5)15-1-2-16-14-12(24)10(22)8(20)6(4-18)26-14;2*1-2-6-4-3-5-1;;;;;/h5-24H,1-4H2;2*5-6H,1-4H2;2*1H;;1H2;/q;;;;;+2;;+4/p-2/t5-,6+,7-,8+,9-,10+,11-,12+,13-,14+;;;;;;;
InChIKeyLBEKARONYKITHK-IEWPMAHUSA-L
XLogP-15.08
TPSA283.98 Ų
H-Bond Donors14
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500827.84
LogP ≤ 5-15.08
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate?
The IUPAC name of copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate (CID 77050720) is copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate.
What is the SMILES notation for copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate?
The canonical SMILES for copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate is C1CNCCN1.C1CNCCN1.O.OC[C@@H]1O[C@H](NCCN[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O.[Cl-].[Cl-].[Cu+2].[Sn+4].
What is the InChIKey of copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate?
The InChIKey is LBEKARONYKITHK-IEWPMAHUSA-L. The full InChI is InChI=1S/C14H28N2O10.2C4H10N2.2ClH.Cu.H2O.Sn/c17-3-5-7(19)9(21)11(23)13(25-5)15-1-2-16-14-12(24)10(22)8(20)6(4-18)26-14;2*1-2-6-4-3-5-1;;;;;/h5-24H,1-4H2;2*5-6H,1-4H2;2*1H;;1H2;/q;;;;;+2;;+4/p-2/t5-,6+,7-,8+,9-,10+,11-,12+,13-,14+;;;;;;;.
What are the key properties of copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate?
copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate has a molecular weight of 827.84 g/mol, XLogP of -15.08, 7 rotatable bonds, 14 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(2S,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol;piperazine;tin(4+);dichloride;hydrate is sourced from PubChem (CID 77050720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).