hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide)

C12H15O13P4S- — CID 90684649

About hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide)

hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide) (PubChem CID 90684649) has the molecular formula C12H15O13P4S- and a molecular weight of 523.20 g/mol. Its IUPAC name is hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide).

Molecular Properties

• Compound Name: hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide)
• PubChem CID: 90684649
• Molecular Formula: C12H15O13P4S-
• Molecular Weight: 523.20 g/mol
• Exact Mass: 522.92
• IUPAC Name: hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide)
• SMILES: CS(=O)(=O)O.Cc1ccc2ccccc2c1.O=P12OOP1(=O)O2.O=P12OOP1(=O)O2.[H-]
• InChI: InChI=1S/C11H10.CH4O3S.2O5P2.H/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-5(2,3)4;2*1-6-3-4-7(6,2)5-6;/h2-8H,1H3;1H3,(H,2,3,4);;;/q;;;;-1
• InChIKey: NGDISJSWVYNMLN-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 184.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	523.20
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide)?

The IUPAC name of hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide) (CID 90684649) is hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide).

What is the SMILES notation for hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide)?

The canonical SMILES for hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide) is CS(=O)(=O)O.Cc1ccc2ccccc2c1.O=P12OOP1(=O)O2.O=P12OOP1(=O)O2.[H-].

What is the InChIKey of hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide)?

The InChIKey is NGDISJSWVYNMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.CH4O3S.2O5P2.H/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-5(2,3)4;2*1-6-3-4-7(6,2)5-6;/h2-8H,1H3;1H3,(H,2,3,4);;;/q;;;;-1.

What are the key properties of hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide)?

hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide) has a molecular weight of 523.20 g/mol, XLogP of 5.32, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for hydride;methanesulfonic acid;2-methylnaphthalene;bis(2,3,5-trioxa-1λ5,4λ5-diphosphabicyclo[2.1.0]pentane 1,4-dioxide) is sourced from PubChem (CID 90684649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).