2-dihydroxyarsanyloxyacetic acid

C2H5AsO5 — CID 118856249

IUPAC2-dihydroxyarsanyloxyacetic acid
SMILESO=C(O)CO[As](O)O
InChIInChI=1S/C2H5AsO5/c4-2(5)1-8-3(6)7/h6-7H,1H2,(H,4,5)
InChIKeyIZJYYGNUZFUNGJ-UHFFFAOYSA-N
MW183.98 g/mol
LogP-1.94
Rot. Bonds3

About 2-dihydroxyarsanyloxyacetic acid

2-dihydroxyarsanyloxyacetic acid (PubChem CID 118856249) has the molecular formula C2H5AsO5 and a molecular weight of 183.98 g/mol. Its IUPAC name is 2-dihydroxyarsanyloxyacetic acid.

Molecular Properties

Compound Name2-dihydroxyarsanyloxyacetic acid
PubChem CID118856249
Molecular FormulaC2H5AsO5
Molecular Weight183.98 g/mol
Exact Mass183.94
IUPAC Name2-dihydroxyarsanyloxyacetic acid
SMILESO=C(O)CO[As](O)O
InChIInChI=1S/C2H5AsO5/c4-2(5)1-8-3(6)7/h6-7H,1H2,(H,4,5)
InChIKeyIZJYYGNUZFUNGJ-UHFFFAOYSA-N
XLogP-1.94
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.98
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dihydroxyarsanyloxyacetic acid?
The IUPAC name of 2-dihydroxyarsanyloxyacetic acid (CID 118856249) is 2-dihydroxyarsanyloxyacetic acid.
What is the SMILES notation for 2-dihydroxyarsanyloxyacetic acid?
The canonical SMILES for 2-dihydroxyarsanyloxyacetic acid is O=C(O)CO[As](O)O.
What is the InChIKey of 2-dihydroxyarsanyloxyacetic acid?
The InChIKey is IZJYYGNUZFUNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5AsO5/c4-2(5)1-8-3(6)7/h6-7H,1H2,(H,4,5).
What are the key properties of 2-dihydroxyarsanyloxyacetic acid?
2-dihydroxyarsanyloxyacetic acid has a molecular weight of 183.98 g/mol, XLogP of -1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dihydroxyarsanyloxyacetic acid is sourced from PubChem (CID 118856249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).