4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid

C4H7AsO6 — CID 173073115

IUPAC4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=C(O)C(O)C(O)C(=O)O[AsH2]
InChIInChI=1S/C4H7AsO6/c5-11-4(10)2(7)1(6)3(8)9/h1-2,6-7H,5H2,(H,8,9)
InChIKeyGQLBXPDMZMVZLW-UHFFFAOYSA-N
MW226.02 g/mol
LogP-3.12
Rot. Bonds3

About 4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid

4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid (PubChem CID 173073115) has the molecular formula C4H7AsO6 and a molecular weight of 226.02 g/mol. Its IUPAC name is 4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid
PubChem CID173073115
Molecular FormulaC4H7AsO6
Molecular Weight226.02 g/mol
Exact Mass225.95
IUPAC Name4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=C(O)C(O)C(O)C(=O)O[AsH2]
InChIInChI=1S/C4H7AsO6/c5-11-4(10)2(7)1(6)3(8)9/h1-2,6-7H,5H2,(H,8,9)
InChIKeyGQLBXPDMZMVZLW-UHFFFAOYSA-N
XLogP-3.12
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.02
LogP ≤ 5-3.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid
CID 89355402
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580

Frequently Asked Questions

What is the IUPAC name of 4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid?
The IUPAC name of 4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid (CID 173073115) is 4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid is O=C(O)C(O)C(O)C(=O)O[AsH2].
What is the InChIKey of 4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid?
The InChIKey is GQLBXPDMZMVZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7AsO6/c5-11-4(10)2(7)1(6)3(8)9/h1-2,6-7H,5H2,(H,8,9).
What are the key properties of 4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid?
4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid has a molecular weight of 226.02 g/mol, XLogP of -3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid is sourced from PubChem (CID 173073115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).