5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide

C5H9O8PS — CID 169009532

IUPAC5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide
SMILESO=P1(OC2COS(=O)(=O)OC2)OCCO1
InChIInChI=1S/C5H9O8PS/c6-14(9-1-2-10-14)13-5-3-11-15(7,8)12-4-5/h5H,1-4H2
InChIKeyMKOGPYZKYFQOEA-UHFFFAOYSA-N
MW260.16 g/mol
LogP-0.18
Rot. Bonds2

About 5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide

5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide (PubChem CID 169009532) has the molecular formula C5H9O8PS and a molecular weight of 260.16 g/mol. Its IUPAC name is 5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide.

Molecular Properties

Compound Name5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide
PubChem CID169009532
Molecular FormulaC5H9O8PS
Molecular Weight260.16 g/mol
Exact Mass259.98
IUPAC Name5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide
SMILESO=P1(OC2COS(=O)(=O)OC2)OCCO1
InChIInChI=1S/C5H9O8PS/c6-14(9-1-2-10-14)13-5-3-11-15(7,8)12-4-5/h5H,1-4H2
InChIKeyMKOGPYZKYFQOEA-UHFFFAOYSA-N
XLogP-0.18
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide 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 5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide?
The IUPAC name of 5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide (CID 169009532) is 5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide.
What is the SMILES notation for 5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide?
The canonical SMILES for 5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide is O=P1(OC2COS(=O)(=O)OC2)OCCO1.
What is the InChIKey of 5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide?
The InChIKey is MKOGPYZKYFQOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O8PS/c6-14(9-1-2-10-14)13-5-3-11-15(7,8)12-4-5/h5H,1-4H2.
What are the key properties of 5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide?
5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide has a molecular weight of 260.16 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3,2-dioxathiane 2,2-dioxide is sourced from PubChem (CID 169009532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).