CID 140732249

C₃₀H₂₆KN₄O₈- — CID 140732249

About CID 140732249

CID 140732249 (PubChem CID 140732249) has the molecular formula C₃₀H₂₆KN₄O₈- and a molecular weight of 609.66 g/mol.

Molecular Properties

• Compound Name: CID 140732249
• PubChem CID: 140732249
• Molecular Formula: C₃₀H₂₆KN₄O₈-
• Molecular Weight: 609.66 g/mol
• Exact Mass: 609.14
• IUPAC Name: —
• SMILES: CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2C2=N[CH-]ON2)cc1.[K+].[OH-]
• InChI: InChI=1S/C30H25N4O7.K.H2O/c1-3-37-29-32-24-10-6-9-23(28(35)38-16-25-18(2)40-30(36)41-25)26(24)34(29)15-19-11-13-20(14-12-19)21-7-4-5-8-22(21)27-31-17-39-33-27;;/h4-14,17H,3,15-16H2,1-2H3,(H,31,33);;1H2/q-1;+1;/p-1
• InChIKey: STXIEXUWZUSSRK-UHFFFAOYSA-M
• XLogP: 1.59
• TPSA: 160.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.66
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 140732249?

The IUPAC name of CID 140732249 (CID 140732249) is not available.

What is the SMILES notation for CID 140732249?

The canonical SMILES for CID 140732249 is CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2C2=N[CH-]ON2)cc1.[K+].[OH-].

What is the InChIKey of CID 140732249?

The InChIKey is STXIEXUWZUSSRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H25N4O7.K.H2O/c1-3-37-29-32-24-10-6-9-23(28(35)38-16-25-18(2)40-30(36)41-25)26(24)34(29)15-19-11-13-20(14-12-19)21-7-4-5-8-22(21)27-31-17-39-33-27;;/h4-14,17H,3,15-16H2,1-2H3,(H,31,33);;1H2/q-1;+1;/p-1.

What are the key properties of CID 140732249?

CID 140732249 has a molecular weight of 609.66 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for CID 140732249 is sourced from PubChem (CID 140732249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140732249 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.