[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid

C5H11AsO8 — CID 25201247

IUPAC[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid
SMILESO=[As](O)(O)OC1OC(CO)C(O)C1O
InChIInChI=1S/C5H11AsO8/c7-1-2-3(8)4(9)5(13-2)14-6(10,11)12/h2-5,7-9H,1H2,(H2,10,11,12)
InChIKeyRYJJOMQPAAUFBF-UHFFFAOYSA-N
MW274.06 g/mol
LogP-3.71
Rot. Bonds3

About [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid

[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid (PubChem CID 25201247) has the molecular formula C5H11AsO8 and a molecular weight of 274.06 g/mol. Its IUPAC name is [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid.

Molecular Properties

Compound Name[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid
PubChem CID25201247
Molecular FormulaC5H11AsO8
Molecular Weight274.06 g/mol
Exact Mass273.97
IUPAC Name[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid
SMILESO=[As](O)(O)OC1OC(CO)C(O)C1O
InChIInChI=1S/C5H11AsO8/c7-1-2-3(8)4(9)5(13-2)14-6(10,11)12/h2-5,7-9H,1H2,(H2,10,11,12)
InChIKeyRYJJOMQPAAUFBF-UHFFFAOYSA-N
XLogP-3.71
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 5-3.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

D-Xylose
CID 135191
beta-L-arabinopyranose
CID 439764
D-Ribose
CID 10975657
L-Arabinose
CID 439195
D-Ribofuranose
CID 5779
D-Arabinopyranose
CID 6902
beta-D-Ribopyranose
CID 441481
beta-D-arabinopyranose
CID 444173
alpha-D-Ribose 5-phosphate
CID 440101
alpha-D-Xylopyranose
CID 6027
Deoxyribose
CID 9828112
D-Lyxose
CID 439240

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid?
The IUPAC name of [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid (CID 25201247) is [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid.
What is the SMILES notation for [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid?
The canonical SMILES for [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid is O=[As](O)(O)OC1OC(CO)C(O)C1O.
What is the InChIKey of [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid?
The InChIKey is RYJJOMQPAAUFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11AsO8/c7-1-2-3(8)4(9)5(13-2)14-6(10,11)12/h2-5,7-9H,1H2,(H2,10,11,12).
What are the key properties of [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid?
[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid has a molecular weight of 274.06 g/mol, XLogP of -3.71, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid is sourced from PubChem (CID 25201247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).