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

HAsO8P2 — CID 151672634

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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Related Compounds

methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 174239066
4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecan-2-amine
CID 23036017
CID 173087948
CID 173087948
CID 173204906
CID 173204906
2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide
CID 172770499
O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine
CID 173394555
azane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide;phosphoric acid
CID 174799376
dioxosilane;2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5λ5,7λ5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide
CID 164672889
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
4,6,11,13,18,20-hexahydroxy-20-methylidene-3,5,7,10,12,14,17,19,21-nonaoxa-4λ5,6λ5,11λ5,13λ5,18λ5,20λ5-hexaphosphatetracyclo[14.5.0.02,8.09,15]henicosane 4,6,11,13,18-pentaoxide
CID 118227607
2,4-dihydroxy-6-(2-methylsulfanylpropoxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 167279571
3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide
CID 101045356

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).