gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol

C32H18AuN8O2+ — CID 135623195

About gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol

gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol (PubChem CID 135623195) has the molecular formula C32H18AuN8O2+ and a molecular weight of 743.52 g/mol. Its IUPAC name is gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol.

Molecular Properties

• Compound Name: gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol
• PubChem CID: 135623195
• Molecular Formula: C32H18AuN8O2+
• Molecular Weight: 743.52 g/mol
• Exact Mass: 743.12
• IUPAC Name: gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol
• SMILES: Oc1ccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1O)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Au+]
• InChI: InChI=1S/C32H18N8O2.Au/c41-22-14-13-21-23(24(22)42)32-39-30-20-12-6-5-11-19(20)28(37-30)35-26-16-8-2-1-7-15(16)25(33-26)34-27-17-9-3-4-10-18(17)29(36-27)38-31(21)40-32;/h1-14,41-42H,(H2,33,34,35,36,37,38,39,40);/q;+1
• InChIKey: YCRYEECJGGACIJ-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 149.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.52
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol?

The IUPAC name of gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol (CID 135623195) is gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol.

What is the SMILES notation for gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol?

The canonical SMILES for gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol is Oc1ccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1O)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Au+].

What is the InChIKey of gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol?

The InChIKey is YCRYEECJGGACIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N8O2.Au/c41-22-14-13-21-23(24(22)42)32-39-30-20-12-6-5-11-19(20)28(37-30)35-26-16-8-2-1-7-15(16)25(33-26)34-27-17-9-3-4-10-18(17)29(36-27)38-31(21)40-32;/h1-14,41-42H,(H2,33,34,35,36,37,38,39,40);/q;+1.

What are the key properties of gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol?

gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol has a molecular weight of 743.52 g/mol, XLogP of 6.28, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for gold(1+);2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,6-diol is sourced from PubChem (CID 135623195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).