CID 156588715

C₂₀H₁₀I₂NaO₅ — CID 156588715

About CID 156588715

CID 156588715 (PubChem CID 156588715) has the molecular formula C₂₀H₁₀I₂NaO₅ and a molecular weight of 607.09 g/mol.

Molecular Properties

• Compound Name: CID 156588715
• PubChem CID: 156588715
• Molecular Formula: C₂₀H₁₀I₂NaO₅
• Molecular Weight: 607.09 g/mol
• Exact Mass: 606.85
• IUPAC Name: —
• SMILES: O=C1OC2(c3ccccc31)c1ccc(O)c(I)c1Oc1c2ccc(O)c1I.[Na]
• InChI: InChI=1S/C20H10I2O5.Na/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20;/h1-8,23-24H
• InChIKey: FWGOOTFPYAPCBC-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 75.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.09
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 156588715?

The IUPAC name of CID 156588715 (CID 156588715) is not available.

What is the SMILES notation for CID 156588715?

The canonical SMILES for CID 156588715 is O=C1OC2(c3ccccc31)c1ccc(O)c(I)c1Oc1c2ccc(O)c1I.[Na].

What is the InChIKey of CID 156588715?

The InChIKey is FWGOOTFPYAPCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10I2O5.Na/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20;/h1-8,23-24H;.

What are the key properties of CID 156588715?

CID 156588715 has a molecular weight of 607.09 g/mol, XLogP of 4.49, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 156588715 is sourced from PubChem (CID 156588715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156588715 — identifiers, structure, computed properties (public domain)

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