CID 153342128

C₂₅H₃₅BFN₂O₇P — CID 153342128

About CID 153342128

CID 153342128 (PubChem CID 153342128) has the molecular formula C₂₅H₃₅BFN₂O₇P and a molecular weight of 536.35 g/mol.

Molecular Properties

• Compound Name: CID 153342128
• PubChem CID: 153342128
• Molecular Formula: C₂₅H₃₅BFN₂O₇P
• Molecular Weight: 536.35 g/mol
• Exact Mass: 536.23
• IUPAC Name: —
• SMILES: [B]C(O)(OP1OCc2c(F)c(C(C)(C)C)cc(C(C)(C)C)c2O1)C(CCn1cc(C)c(=O)[nH]c1=O)OC
• InChI: InChI=1S/C25H35BFN2O7P/c1-14-12-29(22(31)28-21(14)30)10-9-18(33-8)25(26,32)36-37-34-13-15-19(27)16(23(2,3)4)11-17(20(15)35-37)24(5,6)7/h11-12,18,32H,9-10,13H2,1-8H3,(H,28,30,31)
• InChIKey: ZSNXQWBPUBPVEQ-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 112.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.35
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 153342128?

The IUPAC name of CID 153342128 (CID 153342128) is not available.

What is the SMILES notation for CID 153342128?

The canonical SMILES for CID 153342128 is [B]C(O)(OP1OCc2c(F)c(C(C)(C)C)cc(C(C)(C)C)c2O1)C(CCn1cc(C)c(=O)[nH]c1=O)OC.

What is the InChIKey of CID 153342128?

The InChIKey is ZSNXQWBPUBPVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35BFN2O7P/c1-14-12-29(22(31)28-21(14)30)10-9-18(33-8)25(26,32)36-37-34-13-15-19(27)16(23(2,3)4)11-17(20(15)35-37)24(5,6)7/h11-12,18,32H,9-10,13H2,1-8H3,(H,28,30,31).

What are the key properties of CID 153342128?

CID 153342128 has a molecular weight of 536.35 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for CID 153342128 is sourced from PubChem (CID 153342128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153342128 — identifiers, structure, computed properties (public domain)

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