CID 58488529

C11H24BN3O4P2 — CID 58488529

IUPAC—
SMILES[B]C1CN(P)CC(OP(=O)(N(C)C)N2CCOC(C)C2)O1
InChIInChI=1S/C11H24BN3O4P2/c1-9-6-15(4-5-17-9)21(16,13(2)3)19-11-8-14(20)7-10(12)18-11/h9-11H,4-8,20H2,1-3H3
InChIKeyALRGLZAOWKNQCQ-UHFFFAOYSA-N
MW335.09 g/mol
LogP0.34
Rot. Bonds4

About CID 58488529

CID 58488529 (PubChem CID 58488529) has the molecular formula C11H24BN3O4P2 and a molecular weight of 335.09 g/mol.

Molecular Properties

Compound NameCID 58488529
PubChem CID58488529
Molecular FormulaC11H24BN3O4P2
Molecular Weight335.09 g/mol
Exact Mass335.13
IUPAC Name—
SMILES[B]C1CN(P)CC(OP(=O)(N(C)C)N2CCOC(C)C2)O1
InChIInChI=1S/C11H24BN3O4P2/c1-9-6-15(4-5-17-9)21(16,13(2)3)19-11-8-14(20)7-10(12)18-11/h9-11H,4-8,20H2,1-3H3
InChIKeyALRGLZAOWKNQCQ-UHFFFAOYSA-N
XLogP0.34
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.09
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 58488529 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58488529?
The IUPAC name of CID 58488529 (CID 58488529) is not available.
What is the SMILES notation for CID 58488529?
The canonical SMILES for CID 58488529 is [B]C1CN(P)CC(OP(=O)(N(C)C)N2CCOC(C)C2)O1.
What is the InChIKey of CID 58488529?
The InChIKey is ALRGLZAOWKNQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BN3O4P2/c1-9-6-15(4-5-17-9)21(16,13(2)3)19-11-8-14(20)7-10(12)18-11/h9-11H,4-8,20H2,1-3H3.
What are the key properties of CID 58488529?
CID 58488529 has a molecular weight of 335.09 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58488529 is sourced from PubChem (CID 58488529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).