CID 166559451

C11H22BO5PS — CID 166559451

IUPAC—
SMILES[B][C@@H]1S[C@H](COC(C)C)[C@@H](OP(=O)(O)C(C)C)[C@H]1O
InChIInChI=1S/C11H22BO5PS/c1-6(2)16-5-8-10(9(13)11(12)19-8)17-18(14,15)7(3)4/h6-11,13H,5H2,1-4H3,(H,14,15)/t8-,9-,10-,11-/m1/s1
InChIKeyOOBKXMZKBDLFKO-GWOFURMSSA-N
MW308.15 g/mol
LogP1.36
Rot. Bonds6

About CID 166559451

CID 166559451 (PubChem CID 166559451) has the molecular formula C11H22BO5PS and a molecular weight of 308.15 g/mol.

Molecular Properties

Compound NameCID 166559451
PubChem CID166559451
Molecular FormulaC11H22BO5PS
Molecular Weight308.15 g/mol
Exact Mass308.10
IUPAC Name—
SMILES[B][C@@H]1S[C@H](COC(C)C)[C@@H](OP(=O)(O)C(C)C)[C@H]1O
InChIInChI=1S/C11H22BO5PS/c1-6(2)16-5-8-10(9(13)11(12)19-8)17-18(14,15)7(3)4/h6-11,13H,5H2,1-4H3,(H,14,15)/t8-,9-,10-,11-/m1/s1
InChIKeyOOBKXMZKBDLFKO-GWOFURMSSA-N
XLogP1.36
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 51.36
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 166559451?
The IUPAC name of CID 166559451 (CID 166559451) is not available.
What is the SMILES notation for CID 166559451?
The canonical SMILES for CID 166559451 is [B][C@@H]1S[C@H](COC(C)C)[C@@H](OP(=O)(O)C(C)C)[C@H]1O.
What is the InChIKey of CID 166559451?
The InChIKey is OOBKXMZKBDLFKO-GWOFURMSSA-N. The full InChI is InChI=1S/C11H22BO5PS/c1-6(2)16-5-8-10(9(13)11(12)19-8)17-18(14,15)7(3)4/h6-11,13H,5H2,1-4H3,(H,14,15)/t8-,9-,10-,11-/m1/s1.
What are the key properties of CID 166559451?
CID 166559451 has a molecular weight of 308.15 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166559451 is sourced from PubChem (CID 166559451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).