CID 174319424

C₆H₁₂BO₄P — CID 174319424

About CID 174319424

CID 174319424 (PubChem CID 174319424) has the molecular formula C₆H₁₂BO₄P and a molecular weight of 189.94 g/mol.

Molecular Properties

• Compound Name: CID 174319424
• PubChem CID: 174319424
• Molecular Formula: C₆H₁₂BO₄P
• Molecular Weight: 189.94 g/mol
• Exact Mass: 190.06
• IUPAC Name: —
• SMILES: [B][C@H]1CC[C@@H](COP(C)(=O)O)O1
• InChI: InChI=1S/C6H12BO4P/c1-12(8,9)10-4-5-2-3-6(7)11-5/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m0/s1
• InChIKey: MPFKQPYBUGJTDB-NTSWFWBYSA-N
• XLogP: 0.49
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	189.94
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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 174319424?

The IUPAC name of CID 174319424 (CID 174319424) is not available.

What is the SMILES notation for CID 174319424?

The canonical SMILES for CID 174319424 is [B][C@H]1CC[C@@H](COP(C)(=O)O)O1.

What is the InChIKey of CID 174319424?

The InChIKey is MPFKQPYBUGJTDB-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12BO4P/c1-12(8,9)10-4-5-2-3-6(7)11-5/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m0/s1.

What are the key properties of CID 174319424?

CID 174319424 has a molecular weight of 189.94 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 174319424 is sourced from PubChem (CID 174319424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174319424 — identifiers, structure, computed properties (public domain)

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