[(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane

C8H21NO6P2 — CID 12572833

IUPAC[(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(NP(=O)(OCC)OCC)OCC
InChIInChI=1S/C8H21NO6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-8H2,1-4H3,(H,9,10,11)
InChIKeyUBZAYQFNNNKKKW-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.94
Rot. Bonds10

About [(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane

[(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane (PubChem CID 12572833) has the molecular formula C8H21NO6P2 and a molecular weight of 289.20 g/mol. Its IUPAC name is [(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane.

Molecular Properties

Compound Name[(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane
PubChem CID12572833
Molecular FormulaC8H21NO6P2
Molecular Weight289.20 g/mol
Exact Mass289.08
IUPAC Name[(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(NP(=O)(OCC)OCC)OCC
InChIInChI=1S/C8H21NO6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-8H2,1-4H3,(H,9,10,11)
InChIKeyUBZAYQFNNNKKKW-UHFFFAOYSA-N
XLogP2.94
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane?
The IUPAC name of [(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane (CID 12572833) is [(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane.
What is the SMILES notation for [(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane?
The canonical SMILES for [(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane is CCOP(=O)(NP(=O)(OCC)OCC)OCC.
What is the InChIKey of [(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane?
The InChIKey is UBZAYQFNNNKKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-8H2,1-4H3,(H,9,10,11).
What are the key properties of [(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane?
[(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane has a molecular weight of 289.20 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(diethoxyphosphorylamino)-ethoxyphosphoryl]oxyethane is sourced from PubChem (CID 12572833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).