5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide

HO7PS — CID 174352954

IUPAC5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide
SMILESO=P1(O)OOS(=O)(=O)O1
InChIInChI=1S/HO7PS/c1-8(2)5-6-9(3,4)7-8/h(H,1,2)
InChIKeyUOAOTYNCXXQKNM-UHFFFAOYSA-N
MW176.04 g/mol
LogP-0.69
Rot. Bonds

About 5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide

5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide (PubChem CID 174352954) has the molecular formula HO7PS and a molecular weight of 176.04 g/mol. Its IUPAC name is 5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide.

Molecular Properties

Compound Name5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide
PubChem CID174352954
Molecular FormulaHO7PS
Molecular Weight176.04 g/mol
Exact Mass175.92
IUPAC Name5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide
SMILESO=P1(O)OOS(=O)(=O)O1
InChIInChI=1S/HO7PS/c1-8(2)5-6-9(3,4)7-8/h(H,1,2)
InChIKeyUOAOTYNCXXQKNM-UHFFFAOYSA-N
XLogP-0.69
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.04
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;hydride;5-hydroxy-1,2,3,4,5λ5-tetraoxaphospholane 5-oxide
CID 173145201
methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 174239066
CID 173204906
CID 173204906
2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide
CID 141425610
copper;trioxathietane 4,4-dioxide
CID 174193001
3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol
CID 158327815
2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
CID 18459455
CID 173087948
CID 173087948
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide
CID 18697532
1,2,4,3-trioxathiane 3,3-dioxide;hydrate
CID 174833431
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

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide?
The IUPAC name of 5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide (CID 174352954) is 5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide.
What is the SMILES notation for 5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide?
The canonical SMILES for 5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide is O=P1(O)OOS(=O)(=O)O1.
What is the InChIKey of 5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide?
The InChIKey is UOAOTYNCXXQKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/HO7PS/c1-8(2)5-6-9(3,4)7-8/h(H,1,2).
What are the key properties of 5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide?
5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide has a molecular weight of 176.04 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide is sourced from PubChem (CID 174352954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).