4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide

C6H11O7PS — CID 172548152

IUPAC4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
SMILESO=P1(OC2COS(=O)(=O)C2)OCCCO1
InChIInChI=1S/C6H11O7PS/c7-14(10-2-1-3-11-14)13-6-4-12-15(8,9)5-6/h6H,1-5H2
InChIKeyZQBRBRRDONXHOD-UHFFFAOYSA-N
MW258.19 g/mol
LogP0.28
Rot. Bonds2

About 4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide

4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide (PubChem CID 172548152) has the molecular formula C6H11O7PS and a molecular weight of 258.19 g/mol. Its IUPAC name is 4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
PubChem CID172548152
Molecular FormulaC6H11O7PS
Molecular Weight258.19 g/mol
Exact Mass258.00
IUPAC Name4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
SMILESO=P1(OC2COS(=O)(=O)C2)OCCCO1
InChIInChI=1S/C6H11O7PS/c7-14(10-2-1-3-11-14)13-6-4-12-15(8,9)5-6/h6H,1-5H2
InChIKeyZQBRBRRDONXHOD-UHFFFAOYSA-N
XLogP0.28
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
The IUPAC name of 4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide (CID 172548152) is 4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide.
What is the SMILES notation for 4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
The canonical SMILES for 4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide is O=P1(OC2COS(=O)(=O)C2)OCCCO1.
What is the InChIKey of 4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
The InChIKey is ZQBRBRRDONXHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O7PS/c7-14(10-2-1-3-11-14)13-6-4-12-15(8,9)5-6/h6H,1-5H2.
What are the key properties of 4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide has a molecular weight of 258.19 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide is sourced from PubChem (CID 172548152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).