4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide

C6H11O6PS — CID 172548164

IUPAC4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide
SMILESO=S1(=O)CC(OP2OCCCO2)CO1
InChIInChI=1S/C6H11O6PS/c7-14(8)5-6(4-11-14)12-13-9-2-1-3-10-13/h6H,1-5H2
InChIKeyKHKHVZDQMPLOSC-UHFFFAOYSA-N
MW242.19 g/mol
LogP0.40
Rot. Bonds2

About 4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide

4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide (PubChem CID 172548164) has the molecular formula C6H11O6PS and a molecular weight of 242.19 g/mol. Its IUPAC name is 4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide
PubChem CID172548164
Molecular FormulaC6H11O6PS
Molecular Weight242.19 g/mol
Exact Mass242.00
IUPAC Name4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide
SMILESO=S1(=O)CC(OP2OCCCO2)CO1
InChIInChI=1S/C6H11O6PS/c7-14(8)5-6(4-11-14)12-13-9-2-1-3-10-13/h6H,1-5H2
InChIKeyKHKHVZDQMPLOSC-UHFFFAOYSA-N
XLogP0.40
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide?
The IUPAC name of 4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide (CID 172548164) is 4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide.
What is the SMILES notation for 4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide?
The canonical SMILES for 4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide is O=S1(=O)CC(OP2OCCCO2)CO1.
What is the InChIKey of 4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide?
The InChIKey is KHKHVZDQMPLOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O6PS/c7-14(8)5-6(4-11-14)12-13-9-2-1-3-10-13/h6H,1-5H2.
What are the key properties of 4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide?
4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide has a molecular weight of 242.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,2-dioxaphosphinan-2-yloxy)oxathiolane 2,2-dioxide is sourced from PubChem (CID 172548164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).