Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate

C₂₆H₃₂N₄O₁₆S₂V₂ — CID 139158823

About Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate

Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate (PubChem CID 139158823) has the molecular formula C₂₆H₃₂N₄O₁₆S₂V₂ and a molecular weight of 822.58 g/mol. Its IUPAC name is methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate.

Molecular Properties

• Compound Name: Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate
• PubChem CID: 139158823
• Molecular Formula: C₂₆H₃₂N₄O₁₆S₂V₂
• Molecular Weight: 822.58 g/mol
• Exact Mass: 822.01
• IUPAC Name: methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate
• SMILES: CO.CO.COC(O)(c1ccccn1)c1ccccn1.COC(O)(c1ccccn1)c1ccccn1.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[O-2].[O-2].[V+4].[V+4]
• InChI: InChI=1S/2C12H12N2O2.2CH4O.2H2O4S.2O.2V/c2*1-16-12(15,10-6-2-4-8-13-10)11-7-3-5-9-14-11;2*1-2;2*1-5(2,3)4;;;;/h2*2-9,15H,1H3;2*2H,1H3;2*(H2,1,2,3,4);;;;/q;;;;;;2*-2;2*+4/p-4
• InChIKey: HAHFARNOSCEGBB-UHFFFAOYSA-J
• XLogP: -1.07
• TPSA: 368.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.58
LogP ≤ 5	-1.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate?

The IUPAC name of Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate (CID 139158823) is methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate.

What is the SMILES notation for Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate?

The canonical SMILES for Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate is CO.CO.COC(O)(c1ccccn1)c1ccccn1.COC(O)(c1ccccn1)c1ccccn1.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[O-2].[O-2].[V+4].[V+4].

What is the InChIKey of Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate?

The InChIKey is HAHFARNOSCEGBB-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H12N2O2.2CH4O.2H2O4S.2O.2V/c2*1-16-12(15,10-6-2-4-8-13-10)11-7-3-5-9-14-11;2*1-2;2*1-5(2,3)4;;;;/h2*2-9,15H,1H3;2*2H,1H3;2*(H2,1,2,3,4);;;;/q;;;;;;2*-2;2*+4/p-4.

What are the key properties of Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate?

Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate has a molecular weight of 822.58 g/mol, XLogP of -1.07, 6 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate is sourced from PubChem (CID 139158823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139158823 — identifiers, structure, computed properties (public domain)

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