CID 22965246

C16H29B2NO7P- — CID 22965246

IUPAC—
SMILES[B]C1CC(NP(=O)([O-])OCC2OC([B])CC2OC(C)C)C(COC(C)C)O1
InChIInChI=1S/C16H30B2NO7P/c1-9(2)22-7-13-11(5-15(17)25-13)19-27(20,21)23-8-14-12(24-10(3)4)6-16(18)26-14/h9-16H,5-8H2,1-4H3,(H2,19,20,21)/p-1
InChIKeyVUJUMYMTELXFOZ-UHFFFAOYSA-M
MW400.01 g/mol
LogP0.22
Rot. Bonds10

About CID 22965246

CID 22965246 (PubChem CID 22965246) has the molecular formula C16H29B2NO7P- and a molecular weight of 400.01 g/mol.

Molecular Properties

Compound NameCID 22965246
PubChem CID22965246
Molecular FormulaC16H29B2NO7P-
Molecular Weight400.01 g/mol
Exact Mass400.19
IUPAC Name—
SMILES[B]C1CC(NP(=O)([O-])OCC2OC([B])CC2OC(C)C)C(COC(C)C)O1
InChIInChI=1S/C16H30B2NO7P/c1-9(2)22-7-13-11(5-15(17)25-13)19-27(20,21)23-8-14-12(24-10(3)4)6-16(18)26-14/h9-16H,5-8H2,1-4H3,(H2,19,20,21)/p-1
InChIKeyVUJUMYMTELXFOZ-UHFFFAOYSA-M
XLogP0.22
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.01
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 59991582
CID 22965235
CID 22965235
CID 59925402
CID 59925402
CID 59539992
CID 59539992
CID 159552777
CID 159552777
CID 159546085
CID 159546085
CID 22965180
CID 22965180
CID 20609290
CID 20609290
[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate
CID 59991673
CID 158329075
CID 158329075
CID 58593490
CID 58593490
CID 159544655
CID 159544655

Frequently Asked Questions

What is the IUPAC name of CID 22965246?
The IUPAC name of CID 22965246 (CID 22965246) is not available.
What is the SMILES notation for CID 22965246?
The canonical SMILES for CID 22965246 is [B]C1CC(NP(=O)([O-])OCC2OC([B])CC2OC(C)C)C(COC(C)C)O1.
What is the InChIKey of CID 22965246?
The InChIKey is VUJUMYMTELXFOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H30B2NO7P/c1-9(2)22-7-13-11(5-15(17)25-13)19-27(20,21)23-8-14-12(24-10(3)4)6-16(18)26-14/h9-16H,5-8H2,1-4H3,(H2,19,20,21)/p-1.
What are the key properties of CID 22965246?
CID 22965246 has a molecular weight of 400.01 g/mol, XLogP of 0.22, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22965246 is sourced from PubChem (CID 22965246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).