[dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid

C20H30As2O6Sn — CID 71319306

IUPAC[dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid
SMILESCCCC[Sn](CCCC)(O[As](=O)(O)c1ccccc1)O[As](=O)(O)c1ccccc1
InChIInChI=1S/2C6H7AsO3.2C4H9.Sn/c2*8-7(9,10)6-4-2-1-3-5-6;2*1-3-4-2;/h2*1-5H,(H2,8,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyOHDGTJUUHXAKGB-UHFFFAOYSA-L
MW635.01 g/mol
LogP2.60
Rot. Bonds12

About [dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid

[dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid (PubChem CID 71319306) has the molecular formula C20H30As2O6Sn and a molecular weight of 635.01 g/mol. Its IUPAC name is [dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid.

Molecular Properties

Compound Name[dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid
PubChem CID71319306
Molecular FormulaC20H30As2O6Sn
Molecular Weight635.01 g/mol
Exact Mass635.95
IUPAC Name[dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid
SMILESCCCC[Sn](CCCC)(O[As](=O)(O)c1ccccc1)O[As](=O)(O)c1ccccc1
InChIInChI=1S/2C6H7AsO3.2C4H9.Sn/c2*8-7(9,10)6-4-2-1-3-5-6;2*1-3-4-2;/h2*1-5H,(H2,8,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyOHDGTJUUHXAKGB-UHFFFAOYSA-L
XLogP2.60
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.01
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate
CID 16705135
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
butyl-tris(phenylmethoxy)stannane
CID 16688200
2-oxoethoxy(phenyl)arsinic acid
CID 175412982
1-O-benzyl 4-O-[dibutyl-[(Z)-4-oxo-4-phenylmethoxybut-2-enoyl]oxystannyl] (Z)-but-2-enedioate
CID 16684136
fluoro(triphenyl)stannane;tributyl(fluoro)stannane
CID 160888992
tributylstannyl 2-phenylsulfanylacetate
CID 71333282
N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine
CID 23265971
2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide
CID 16687745
dibenzyl-butyl-chlorostannane
CID 14517512
2-[dibutyl-(1,3-dioxo-1,3-diphenylpropan-2-yl)stannyl]-1,3-diphenylpropane-1,3-dione
CID 10842248
CID 177463927
CID 177463927

Frequently Asked Questions

What is the IUPAC name of [dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid?
The IUPAC name of [dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid (CID 71319306) is [dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid.
What is the SMILES notation for [dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid?
The canonical SMILES for [dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid is CCCC[Sn](CCCC)(O[As](=O)(O)c1ccccc1)O[As](=O)(O)c1ccccc1.
What is the InChIKey of [dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid?
The InChIKey is OHDGTJUUHXAKGB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7AsO3.2C4H9.Sn/c2*8-7(9,10)6-4-2-1-3-5-6;2*1-3-4-2;/h2*1-5H,(H2,8,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid?
[dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid has a molecular weight of 635.01 g/mol, XLogP of 2.60, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid is sourced from PubChem (CID 71319306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).