1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane

C10H24O8P2S — CID 12862787

IUPAC1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(CS(=O)(=O)CP(=O)(OCC)OCC)OCC
InChIInChI=1S/C10H24O8P2S/c1-5-15-19(11,16-6-2)9-21(13,14)10-20(12,17-7-3)18-8-4/h5-10H2,1-4H3
InChIKeyRVBOFLSNOYHNLA-UHFFFAOYSA-N
MW366.31 g/mol
LogP2.85
Rot. Bonds12

About 1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane

1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane (PubChem CID 12862787) has the molecular formula C10H24O8P2S and a molecular weight of 366.31 g/mol. Its IUPAC name is 1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane
PubChem CID12862787
Molecular FormulaC10H24O8P2S
Molecular Weight366.31 g/mol
Exact Mass366.07
IUPAC Name1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(CS(=O)(=O)CP(=O)(OCC)OCC)OCC
InChIInChI=1S/C10H24O8P2S/c1-5-15-19(11,16-6-2)9-21(13,14)10-20(12,17-7-3)18-8-4/h5-10H2,1-4H3
InChIKeyRVBOFLSNOYHNLA-UHFFFAOYSA-N
XLogP2.85
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane?
The IUPAC name of 1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane (CID 12862787) is 1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane?
The canonical SMILES for 1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane is CCOP(=O)(CS(=O)(=O)CP(=O)(OCC)OCC)OCC.
What is the InChIKey of 1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane?
The InChIKey is RVBOFLSNOYHNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O8P2S/c1-5-15-19(11,16-6-2)9-21(13,14)10-20(12,17-7-3)18-8-4/h5-10H2,1-4H3.
What are the key properties of 1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane?
1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane has a molecular weight of 366.31 g/mol, XLogP of 2.85, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphorylmethylsulfonylmethyl(ethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 12862787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).