diaminophosphoryl hydrogen sulfate

H5N2O5PS — CID 174774826

IUPACdiaminophosphoryl hydrogen sulfate
SMILESNP(N)(=O)OS(=O)(=O)O
InChIInChI=1S/H5N2O5PS/c1-8(2,3)7-9(4,5)6/h(H4,1,2,3)(H,4,5,6)
InChIKeyZSWVURXHMRCFAJ-UHFFFAOYSA-N
MW176.09 g/mol
LogP-1.17
Rot. Bonds2

About diaminophosphoryl hydrogen sulfate

diaminophosphoryl hydrogen sulfate (PubChem CID 174774826) has the molecular formula H5N2O5PS and a molecular weight of 176.09 g/mol. Its IUPAC name is diaminophosphoryl hydrogen sulfate.

Molecular Properties

Compound Namediaminophosphoryl hydrogen sulfate
PubChem CID174774826
Molecular FormulaH5N2O5PS
Molecular Weight176.09 g/mol
Exact Mass175.97
IUPAC Namediaminophosphoryl hydrogen sulfate
SMILESNP(N)(=O)OS(=O)(=O)O
InChIInChI=1S/H5N2O5PS/c1-8(2,3)7-9(4,5)6/h(H4,1,2,3)(H,4,5,6)
InChIKeyZSWVURXHMRCFAJ-UHFFFAOYSA-N
XLogP-1.17
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.09
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

bis(sulfo dihydrogen phosphate);sulfuric acid
CID 173418337
azane;sulfo dihydrogen phosphate
CID 173203542
[hydroxy(sulfooxy)phosphoryl] methanesulfonate
CID 150540601
azane;sulfo dihydrogen phosphate;zinc
CID 175237614
[hydroxy(sulfooxy)phosphoryl]phosphonic acid
CID 150163051
nitro sulfo hydrogen phosphate
CID 154295491
calcium;trisodium;hydride;sulfo dihydrogen phosphate
CID 173350436
[hydroxy(sulfooxy)phosphoryl]oxymethanethioic S-acid
CID 138756853
dihydroxyphosphinothioyl hydrogen sulfate
CID 174609403
[difluoro-[hydroxy(sulfooxy)phosphoryl]methyl]phosphonic acid
CID 87348536
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
CID 131879747
CID 131879747

Frequently Asked Questions

What is the IUPAC name of diaminophosphoryl hydrogen sulfate?
The IUPAC name of diaminophosphoryl hydrogen sulfate (CID 174774826) is diaminophosphoryl hydrogen sulfate.
What is the SMILES notation for diaminophosphoryl hydrogen sulfate?
The canonical SMILES for diaminophosphoryl hydrogen sulfate is NP(N)(=O)OS(=O)(=O)O.
What is the InChIKey of diaminophosphoryl hydrogen sulfate?
The InChIKey is ZSWVURXHMRCFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/H5N2O5PS/c1-8(2,3)7-9(4,5)6/h(H4,1,2,3)(H,4,5,6).
What are the key properties of diaminophosphoryl hydrogen sulfate?
diaminophosphoryl hydrogen sulfate has a molecular weight of 176.09 g/mol, XLogP of -1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diaminophosphoryl hydrogen sulfate is sourced from PubChem (CID 174774826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).