CID 173416134

H9BF3O18P6 — CID 173416134

About CID 173416134

CID 173416134 (PubChem CID 173416134) has the molecular formula H9BF3O18P6 and a molecular weight of 550.70 g/mol.

Molecular Properties

• Compound Name: CID 173416134
• PubChem CID: 173416134
• Molecular Formula: H9BF3O18P6
• Molecular Weight: 550.70 g/mol
• Exact Mass: 550.83
• IUPAC Name: —
• SMILES: O=P(O)(O)OP(=O)(O)F.O=P(O)(O)OP(=O)(O)F.O=P(O)(O)OP(=O)(O)F.[B]
• InChI: InChI=1S/B.3FH3O6P2/c;3*1-8(2,3)7-9(4,5)6/h;3*(H,2,3)(H2,4,5,6)
• InChIKey: PUBGZKSSUXGORE-UHFFFAOYSA-N
• XLogP: 0.12
• TPSA: 312.18 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.70
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 173416134?

The IUPAC name of CID 173416134 (CID 173416134) is not available.

What is the SMILES notation for CID 173416134?

The canonical SMILES for CID 173416134 is O=P(O)(O)OP(=O)(O)F.O=P(O)(O)OP(=O)(O)F.O=P(O)(O)OP(=O)(O)F.[B].

What is the InChIKey of CID 173416134?

The InChIKey is PUBGZKSSUXGORE-UHFFFAOYSA-N. The full InChI is InChI=1S/B.3FH3O6P2/c;3*1-8(2,3)7-9(4,5)6/h;3*(H,2,3)(H2,4,5,6).

What are the key properties of CID 173416134?

CID 173416134 has a molecular weight of 550.70 g/mol, XLogP of 0.12, 6 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for CID 173416134 is sourced from PubChem (CID 173416134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).