1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane

C11H26O10P2S2 — CID 23534148

IUPAC1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(CS(=O)(=O)CS(=O)(=O)CP(=O)(OCC)OCC)OCC
InChIInChI=1S/C11H26O10P2S2/c1-5-18-22(12,19-6-2)9-24(14,15)11-25(16,17)10-23(13,20-7-3)21-8-4/h5-11H2,1-4H3
InChIKeyYORIHLHGYSNMHE-UHFFFAOYSA-N
MW444.40 g/mol
LogP2.22
Rot. Bonds14

About 1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane

1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane (PubChem CID 23534148) has the molecular formula C11H26O10P2S2 and a molecular weight of 444.40 g/mol. Its IUPAC name is 1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane
PubChem CID23534148
Molecular FormulaC11H26O10P2S2
Molecular Weight444.40 g/mol
Exact Mass444.04
IUPAC Name1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(CS(=O)(=O)CS(=O)(=O)CP(=O)(OCC)OCC)OCC
InChIInChI=1S/C11H26O10P2S2/c1-5-18-22(12,19-6-2)9-24(14,15)11-25(16,17)10-23(13,20-7-3)21-8-4/h5-11H2,1-4H3
InChIKeyYORIHLHGYSNMHE-UHFFFAOYSA-N
XLogP2.22
TPSA139.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane?
The IUPAC name of 1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane (CID 23534148) is 1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane?
The canonical SMILES for 1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane is CCOP(=O)(CS(=O)(=O)CS(=O)(=O)CP(=O)(OCC)OCC)OCC.
What is the InChIKey of 1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane?
The InChIKey is YORIHLHGYSNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O10P2S2/c1-5-18-22(12,19-6-2)9-24(14,15)11-25(16,17)10-23(13,20-7-3)21-8-4/h5-11H2,1-4H3.
What are the key properties of 1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane?
1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane has a molecular weight of 444.40 g/mol, XLogP of 2.22, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphorylmethylsulfonylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 23534148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).