1-arsonatooxy-3-hydroxypropan-2-one

C3H5AsO6-2 — CID 135055275

IUPAC1-arsonatooxy-3-hydroxypropan-2-one
SMILESO=C(CO)CO[As](=O)([O-])[O-]
InChIInChI=1S/C3H7AsO6/c5-1-3(6)2-10-4(7,8)9/h5H,1-2H2,(H2,7,8,9)/p-2
InChIKeyKAYCXYFNNJLSIV-UHFFFAOYSA-L
MW211.99 g/mol
LogP-3.85
Rot. Bonds4

About 1-arsonatooxy-3-hydroxypropan-2-one

1-arsonatooxy-3-hydroxypropan-2-one (PubChem CID 135055275) has the molecular formula C3H5AsO6-2 and a molecular weight of 211.99 g/mol. Its IUPAC name is 1-arsonatooxy-3-hydroxypropan-2-one.

Molecular Properties

Compound Name1-arsonatooxy-3-hydroxypropan-2-one
PubChem CID135055275
Molecular FormulaC3H5AsO6-2
Molecular Weight211.99 g/mol
Exact Mass211.93
IUPAC Name1-arsonatooxy-3-hydroxypropan-2-one
SMILESO=C(CO)CO[As](=O)([O-])[O-]
InChIInChI=1S/C3H7AsO6/c5-1-3(6)2-10-4(7,8)9/h5H,1-2H2,(H2,7,8,9)/p-2
InChIKeyKAYCXYFNNJLSIV-UHFFFAOYSA-L
XLogP-3.85
TPSA109.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.99
LogP ≤ 5-3.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Dihydroxyacetone
CID 670
Dihydroxymethyl ketone
CID 14923235
Glyceron-water
CID 129674481
Trihydroxy-(3-hydroxy-2-oxopropoxy)boranuide
CID 135055893
13-Dihydroxypropan-2-one dimer
CID 533978
1,1,3,3-Tetradeuterio-1,3-dihydroxypropan-2-one
CID 12289996
1,1,3-Trihydroxypropan-2-one
CID 18403036
1,3-Dihydroxypropan-2-one;propan-2-one
CID 20395449
CID 59233630
CID 59233630
1-Hydroxypropan-2-one;dihydrate
CID 87429435
Potassium 3-hydroxy-2-oxopropan-1-olate
CID 88728485
1,3-dihydroxy(113C)propan-2-one
CID 123336486

Frequently Asked Questions

What is the IUPAC name of 1-arsonatooxy-3-hydroxypropan-2-one?
The IUPAC name of 1-arsonatooxy-3-hydroxypropan-2-one (CID 135055275) is 1-arsonatooxy-3-hydroxypropan-2-one.
What is the SMILES notation for 1-arsonatooxy-3-hydroxypropan-2-one?
The canonical SMILES for 1-arsonatooxy-3-hydroxypropan-2-one is O=C(CO)CO[As](=O)([O-])[O-].
What is the InChIKey of 1-arsonatooxy-3-hydroxypropan-2-one?
The InChIKey is KAYCXYFNNJLSIV-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7AsO6/c5-1-3(6)2-10-4(7,8)9/h5H,1-2H2,(H2,7,8,9)/p-2.
What are the key properties of 1-arsonatooxy-3-hydroxypropan-2-one?
1-arsonatooxy-3-hydroxypropan-2-one has a molecular weight of 211.99 g/mol, XLogP of -3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-arsonatooxy-3-hydroxypropan-2-one is sourced from PubChem (CID 135055275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).