copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99

C51H37Cl2CuN3O16SnTc2-2 — CID 159738399

IUPACcopper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99
SMILESC#COc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1.Cl[Sn]Cl.O=[Tc](=O)(=O)[O-].[99Tc].[C-]#COc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1.[C-]#COc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1.[Cu+]
InChIInChI=1S/C17H13NO4.2C17H12NO4.2ClH.Cu.4O.Sn.2Tc/c3*1-2-22-12-5-3-11(4-6-12)16(19)15-8-7-14-13(17(20)21)9-10-18(14)15;;;;;;;;;;/h1,3-8,13H,9-10H2,(H,20,21);2*3-8,13H,9-10H2,(H,20,21);2*1H;;;;;;;;/q;2*-1;;;+1;;;;-1;+2;;/p-2/i;;;;;;;;;;;1+1;
InChIKeyFHNUPLOLBMHQSU-OUXOYEEMSA-L
MW1397.93 g/mol
LogP6.14
Rot. Bonds12

About copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99

copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99 (PubChem CID 159738399) has the molecular formula C51H37Cl2CuN3O16SnTc2-2 and a molecular weight of 1397.93 g/mol. Its IUPAC name is copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99.

Molecular Properties

Compound Namecopper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99
PubChem CID159738399
Molecular FormulaC51H37Cl2CuN3O16SnTc2-2
Molecular Weight1397.93 g/mol
Exact Mass1395.80
IUPAC Namecopper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99
SMILESC#COc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1.Cl[Sn]Cl.O=[Tc](=O)(=O)[O-].[99Tc].[C-]#COc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1.[C-]#COc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1.[Cu+]
InChIInChI=1S/C17H13NO4.2C17H12NO4.2ClH.Cu.4O.Sn.2Tc/c3*1-2-22-12-5-3-11(4-6-12)16(19)15-8-7-14-13(17(20)21)9-10-18(14)15;;;;;;;;;;/h1,3-8,13H,9-10H2,(H,20,21);2*3-8,13H,9-10H2,(H,20,21);2*1H;;;;;;;;/q;2*-1;;;+1;;;;-1;+2;;/p-2/i;;;;;;;;;;;1+1;
InChIKeyFHNUPLOLBMHQSU-OUXOYEEMSA-L
XLogP6.14
TPSA279.86 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001397.93
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99 with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99?
The IUPAC name of copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99 (CID 159738399) is copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99.
What is the SMILES notation for copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99?
The canonical SMILES for copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99 is C#COc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1.Cl[Sn]Cl.O=[Tc](=O)(=O)[O-].[99Tc].[C-]#COc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1.[C-]#COc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1.[Cu+].
What is the InChIKey of copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99?
The InChIKey is FHNUPLOLBMHQSU-OUXOYEEMSA-L. The full InChI is InChI=1S/C17H13NO4.2C17H12NO4.2ClH.Cu.4O.Sn.2Tc/c3*1-2-22-12-5-3-11(4-6-12)16(19)15-8-7-14-13(17(20)21)9-10-18(14)15;;;;;;;;;;/h1,3-8,13H,9-10H2,(H,20,21);2*3-8,13H,9-10H2,(H,20,21);2*1H;;;;;;;;/q;2*-1;;;+1;;;;-1;+2;;/p-2/i;;;;;;;;;;;1+1;.
What are the key properties of copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99?
copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99 has a molecular weight of 1397.93 g/mol, XLogP of 6.14, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);dichlorotin;5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;bis(5-(4-ethynoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid);oxido(trioxo)technetium;technetium-99 is sourced from PubChem (CID 159738399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).