azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium)

C6H16NO6Rf2S- — CID 159123534

IUPACazanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium)
SMILES[CH2-]OCC(C)(CO)COS(=O)(=O)[O-].[NH4+].[Rf].[Rf]
InChIInChI=1S/C6H13O6S.H3N.2Rf/c1-6(3-7,4-11-2)5-12-13(8,9)10;;;/h7H,2-5H2,1H3,(H,8,9,10);1H3;;/q-1;;;
InChIKeyLJJIJSUUUOIQRM-UHFFFAOYSA-N
MW764.26 g/mol
LogP-0.35
Rot. Bonds6

About azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium)

azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium) (PubChem CID 159123534) has the molecular formula C6H16NO6Rf2S- and a molecular weight of 764.26 g/mol. Its IUPAC name is azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium).

Molecular Properties

Compound Nameazanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium)
PubChem CID159123534
Molecular FormulaC6H16NO6Rf2S-
Molecular Weight764.26 g/mol
Exact Mass764.31
IUPAC Nameazanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium)
SMILES[CH2-]OCC(C)(CO)COS(=O)(=O)[O-].[NH4+].[Rf].[Rf]
InChIInChI=1S/C6H13O6S.H3N.2Rf/c1-6(3-7,4-11-2)5-12-13(8,9)10;;;/h7H,2-5H2,1H3,(H,8,9,10);1H3;;/q-1;;;
InChIKeyLJJIJSUUUOIQRM-UHFFFAOYSA-N
XLogP-0.35
TPSA132.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500764.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium
CID 169425349
2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium)
CID 161265782
azanium [4-hydroxy-2,2-bis(2-hydroxyethyl)butyl] sulfate
CID 141385996
dilithium;(2,2-difluoro-3-sulfonatooxypropyl) sulfate
CID 118676398
sodium hydroxymethyl sulfate
CID 23709001
[2-methyl-3-sulfonatooxy-2-(2,2,2-trifluoroethoxy)propyl] sulfate
CID 102271265
potassium [3-sulfooxy-2,2-bis(sulfooxymethyl)propyl] sulfate
CID 168867676
azanium;[2-[[2,2-dimethyl-3-[2-methyl-2-(methylsulfonyloxymethyl)-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] sulfate;methane
CID 159581242
(3-hydroxy-2,2-dimethylpropyl)-trimethylazanium;methyl sulfate
CID 157250769
[2-[[3-[2-[(hydroxyazaniumyl)sulfonyloxymethyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] sulfate
CID 123819805
diazanium;methane;[2-methyl-4-methylsulfonyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butyl] sulfate;[2-methyl-4-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)butyl] sulfate
CID 161017614
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348

Frequently Asked Questions

What is the IUPAC name of azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium)?
The IUPAC name of azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium) (CID 159123534) is azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium).
What is the SMILES notation for azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium)?
The canonical SMILES for azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium) is [CH2-]OCC(C)(CO)COS(=O)(=O)[O-].[NH4+].[Rf].[Rf].
What is the InChIKey of azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium)?
The InChIKey is LJJIJSUUUOIQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O6S.H3N.2Rf/c1-6(3-7,4-11-2)5-12-13(8,9)10;;;/h7H,2-5H2,1H3,(H,8,9,10);1H3;;/q-1;;;.
What are the key properties of azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium)?
azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium) has a molecular weight of 764.26 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium) is sourced from PubChem (CID 159123534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).