CID 132775068

C11H108Al16O75S8-16 — CID 132775068

About CID 132775068

CID 132775068 (PubChem CID 132775068) has the molecular formula C11H108Al16O75S8-16 and a molecular weight of 2129.16 g/mol.

Molecular Properties

• Compound Name: CID 132775068
• PubChem CID: 132775068
• Molecular Formula: C11H108Al16O75S8-16
• Molecular Weight: 2129.16 g/mol
• Exact Mass: 2127.95
• IUPAC Name: —
• SMILES: O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)[O-])O[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-].[AlH2-].[AlH2-].[AlH2-].[AlH2-].[AlH2-].[AlH2-].[AlH2-].[AlH2-].[Al].[Al].[Al].[Al].[Al].[Al].[Al].[Al]
• InChI: InChI=1S/C11H20O35S8.16Al.40H2O.16H/c12-47(13,14)36-1-3-4(41-49(18,19)20)5(42-50(21,22)23)6(43-51(24,25)26)9(38-3)39-11(2-37-48(15,16)17)8(45-53(30,31)32)7(44-52(27,28)29)10(40-11)46-54(33,34)35;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-10H,1-2H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;;;;;;;;;;;;;;40*1H2;;;;;;;;;;;;;;;;/q;;;;;;;;;8*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/t3-,4-,5+,6-,7+,8+,9+,10-,11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1......................................................................../s1
• InChIKey: QLFQHYQZHGIZSV-RDQJZHSGSA-F
• XLogP: -52.93
• TPSA: 1819.13 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2129.16
LogP ≤ 5	-52.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 132775068?

The IUPAC name of CID 132775068 (CID 132775068) is not available.

What is the SMILES notation for CID 132775068?

The canonical SMILES for CID 132775068 is O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)[O-])O[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-].[AlH2-].[AlH2-].[AlH2-].[AlH2-].[AlH2-].[AlH2-].[AlH2-].[AlH2-].[Al].[Al].[Al].[Al].[Al].[Al].[Al].[Al].

What is the InChIKey of CID 132775068?

The InChIKey is QLFQHYQZHGIZSV-RDQJZHSGSA-F. The full InChI is InChI=1S/C11H20O35S8.16Al.40H2O.16H/c12-47(13,14)36-1-3-4(41-49(18,19)20)5(42-50(21,22)23)6(43-51(24,25)26)9(38-3)39-11(2-37-48(15,16)17)8(45-53(30,31)32)7(44-52(27,28)29)10(40-11)46-54(33,34)35;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-10H,1-2H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;;;;;;;;;;;;;;40*1H2;;;;;;;;;;;;;;;;/q;;;;;;;;;8*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/t3-,4-,5+,6-,7+,8+,9+,10-,11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1......................................................................../s1.

What are the key properties of CID 132775068?

CID 132775068 has a molecular weight of 2129.16 g/mol, XLogP of -52.93, 20 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for CID 132775068 is sourced from PubChem (CID 132775068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).