CID 166559436

C11H23BNO4PS — CID 166559436

IUPAC—
SMILES[B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(O)(=S)C(C)C)[C@H]1N
InChIInChI=1S/C11H23BNO4PS/c1-6(2)15-5-8-10(9(13)11(12)16-8)17-18(14,19)7(3)4/h6-11H,5,13H2,1-4H3,(H,14,19)/t8-,9-,10-,11-,18?/m1/s1
InChIKeyVKLKPNQSPKFGPC-APBGBVCWSA-N
MW307.16 g/mol
LogP0.73
Rot. Bonds6

About CID 166559436

CID 166559436 (PubChem CID 166559436) has the molecular formula C11H23BNO4PS and a molecular weight of 307.16 g/mol.

Molecular Properties

Compound NameCID 166559436
PubChem CID166559436
Molecular FormulaC11H23BNO4PS
Molecular Weight307.16 g/mol
Exact Mass307.12
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(O)(=S)C(C)C)[C@H]1N
InChIInChI=1S/C11H23BNO4PS/c1-6(2)15-5-8-10(9(13)11(12)16-8)17-18(14,19)7(3)4/h6-11H,5,13H2,1-4H3,(H,14,19)/t8-,9-,10-,11-,18?/m1/s1
InChIKeyVKLKPNQSPKFGPC-APBGBVCWSA-N
XLogP0.73
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 166559436 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 166559436?
The IUPAC name of CID 166559436 (CID 166559436) is not available.
What is the SMILES notation for CID 166559436?
The canonical SMILES for CID 166559436 is [B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(O)(=S)C(C)C)[C@H]1N.
What is the InChIKey of CID 166559436?
The InChIKey is VKLKPNQSPKFGPC-APBGBVCWSA-N. The full InChI is InChI=1S/C11H23BNO4PS/c1-6(2)15-5-8-10(9(13)11(12)16-8)17-18(14,19)7(3)4/h6-11H,5,13H2,1-4H3,(H,14,19)/t8-,9-,10-,11-,18?/m1/s1.
What are the key properties of CID 166559436?
CID 166559436 has a molecular weight of 307.16 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166559436 is sourced from PubChem (CID 166559436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).