(2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal

C6H13AsO5 — CID 173185656

IUPAC(2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal
SMILESO=C[C@H](O)[C@H](C[C@H](O)CO)O[AsH2]
InChIInChI=1S/C6H13AsO5/c7-12-6(5(11)3-9)1-4(10)2-8/h3-6,8,10-11H,1-2,7H2/t4-,5-,6-/m0/s1
InChIKeyTUANINHVFWBMRS-ZLUOBGJFSA-N
MW240.09 g/mol
LogP-2.78
Rot. Bonds6

About (2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal

(2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal (PubChem CID 173185656) has the molecular formula C6H13AsO5 and a molecular weight of 240.09 g/mol. Its IUPAC name is (2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal.

Molecular Properties

Compound Name(2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal
PubChem CID173185656
Molecular FormulaC6H13AsO5
Molecular Weight240.09 g/mol
Exact Mass240.00
IUPAC Name(2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal
SMILESO=C[C@H](O)[C@H](C[C@H](O)CO)O[AsH2]
InChIInChI=1S/C6H13AsO5/c7-12-6(5(11)3-9)1-4(10)2-8/h3-6,8,10-11H,1-2,7H2/t4-,5-,6-/m0/s1
InChIKeyTUANINHVFWBMRS-ZLUOBGJFSA-N
XLogP-2.78
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 5-2.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal?
The IUPAC name of (2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal (CID 173185656) is (2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal.
What is the SMILES notation for (2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal?
The canonical SMILES for (2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal is O=C[C@H](O)[C@H](C[C@H](O)CO)O[AsH2].
What is the InChIKey of (2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal?
The InChIKey is TUANINHVFWBMRS-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H13AsO5/c7-12-6(5(11)3-9)1-4(10)2-8/h3-6,8,10-11H,1-2,7H2/t4-,5-,6-/m0/s1.
What are the key properties of (2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal?
(2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal has a molecular weight of 240.09 g/mol, XLogP of -2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal is sourced from PubChem (CID 173185656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).