bis[tris(dimethylamino)methoxyphosphanyl] sulfate

C14H38N6O6P2S — CID 141154520

IUPACbis[tris(dimethylamino)methoxyphosphanyl] sulfate
SMILESCN(C)C(OPOS(=O)(=O)OPOC(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C14H38N6O6P2S/c1-15(2)13(16(3)4,17(5)6)23-27-25-29(21,22)26-28-24-14(18(7)8,19(9)10)20(11)12/h27-28H,1-12H3
InChIKeyKOTZJVZSAGZADO-UHFFFAOYSA-N
MW480.51 g/mol
LogP-0.09
Rot. Bonds14

About bis[tris(dimethylamino)methoxyphosphanyl] sulfate

bis[tris(dimethylamino)methoxyphosphanyl] sulfate (PubChem CID 141154520) has the molecular formula C14H38N6O6P2S and a molecular weight of 480.51 g/mol. Its IUPAC name is bis[tris(dimethylamino)methoxyphosphanyl] sulfate.

Molecular Properties

Compound Namebis[tris(dimethylamino)methoxyphosphanyl] sulfate
PubChem CID141154520
Molecular FormulaC14H38N6O6P2S
Molecular Weight480.51 g/mol
Exact Mass480.20
IUPAC Namebis[tris(dimethylamino)methoxyphosphanyl] sulfate
SMILESCN(C)C(OPOS(=O)(=O)OPOC(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C14H38N6O6P2S/c1-15(2)13(16(3)4,17(5)6)23-27-25-29(21,22)26-28-24-14(18(7)8,19(9)10)20(11)12/h27-28H,1-12H3
InChIKeyKOTZJVZSAGZADO-UHFFFAOYSA-N
XLogP-0.09
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.51
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[tris(dimethylamino)methoxyphosphanyl] sulfate?
The IUPAC name of bis[tris(dimethylamino)methoxyphosphanyl] sulfate (CID 141154520) is bis[tris(dimethylamino)methoxyphosphanyl] sulfate.
What is the SMILES notation for bis[tris(dimethylamino)methoxyphosphanyl] sulfate?
The canonical SMILES for bis[tris(dimethylamino)methoxyphosphanyl] sulfate is CN(C)C(OPOS(=O)(=O)OPOC(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.
What is the InChIKey of bis[tris(dimethylamino)methoxyphosphanyl] sulfate?
The InChIKey is KOTZJVZSAGZADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H38N6O6P2S/c1-15(2)13(16(3)4,17(5)6)23-27-25-29(21,22)26-28-24-14(18(7)8,19(9)10)20(11)12/h27-28H,1-12H3.
What are the key properties of bis[tris(dimethylamino)methoxyphosphanyl] sulfate?
bis[tris(dimethylamino)methoxyphosphanyl] sulfate has a molecular weight of 480.51 g/mol, XLogP of -0.09, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tris(dimethylamino)methoxyphosphanyl] sulfate is sourced from PubChem (CID 141154520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).