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3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide

HAsO8P2 — CID 151672634

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide
SMILESO=P1(O)OP2(=O)O[As](=O)(O1)O2
InChIInChI=1S/AsHO8P2/c2-1-6-10(3,4)9-11(5,7-1)8-1/h(H,3,4)
InChIKeyQYWKFZPKUWNFSS-UHFFFAOYSA-N
MW265.87 g/mol
LogP0.15
Rot. Bonds

About 3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide

3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide (PubChem CID 151672634) has the molecular formula HAsO8P2 and a molecular weight of 265.87 g/mol. Its IUPAC name is 3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide.

Molecular Properties

Compound Name3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide
PubChem CID151672634
Molecular FormulaHAsO8P2
Molecular Weight265.87 g/mol
Exact Mass265.84
IUPAC Name3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide
SMILESO=P1(O)OP2(=O)O[As](=O)(O1)O2
InChIInChI=1S/AsHO8P2/c2-1-6-10(3,4)9-11(5,7-1)8-1/h(H,3,4)
InChIKeyQYWKFZPKUWNFSS-UHFFFAOYSA-N
XLogP0.15
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.87
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide?
The IUPAC name of 3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide (CID 151672634) is 3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide.
What is the SMILES notation for 3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide?
The canonical SMILES for 3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide is O=P1(O)OP2(=O)O[As](=O)(O1)O2.
What is the InChIKey of 3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide?
The InChIKey is QYWKFZPKUWNFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/AsHO8P2/c2-1-6-10(3,4)9-11(5,7-1)8-1/h(H,3,4).
What are the key properties of 3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide?
3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide has a molecular weight of 265.87 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4,6,7-tetraoxa-1λ5,3λ5-diphospha-5λ5-arsabicyclo[3.1.1]heptane 1,3,5-trioxide is sourced from PubChem (CID 151672634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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