nitro sulfo hydrogen phosphate

H2NO9PS — CID 154295491

IUPACnitro sulfo hydrogen phosphate
SMILESO=[N+]([O-])OP(=O)(O)OS(=O)(=O)O
InChIInChI=1S/H2NO9PS/c2-1(3)9-11(4,5)10-12(6,7)8/h(H,4,5)(H,6,7,8)
InChIKeyJKMPBSPRHJJQLA-UHFFFAOYSA-N
MW223.05 g/mol
LogP-0.89
Rot. Bonds4

About nitro sulfo hydrogen phosphate

nitro sulfo hydrogen phosphate (PubChem CID 154295491) has the molecular formula H2NO9PS and a molecular weight of 223.05 g/mol. Its IUPAC name is nitro sulfo hydrogen phosphate.

Molecular Properties

Compound Namenitro sulfo hydrogen phosphate
PubChem CID154295491
Molecular FormulaH2NO9PS
Molecular Weight223.05 g/mol
Exact Mass222.92
IUPAC Namenitro sulfo hydrogen phosphate
SMILESO=[N+]([O-])OP(=O)(O)OS(=O)(=O)O
InChIInChI=1S/H2NO9PS/c2-1(3)9-11(4,5)10-12(6,7)8/h(H,4,5)(H,6,7,8)
InChIKeyJKMPBSPRHJJQLA-UHFFFAOYSA-N
XLogP-0.89
TPSA153.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.05
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

dinitro hydrogen phosphate
CID 18673450
[hydroxy(sulfooxy)phosphoryl] methanesulfonate
CID 150540601
azane;sulfo dihydrogen phosphate
CID 173203542
bis(sulfo dihydrogen phosphate);sulfuric acid
CID 173418337
diaminophosphoryl hydrogen sulfate
CID 174774826
azane;nitro dihydrogen phosphate
CID 172846908
[hydroxy(sulfooxy)phosphoryl]oxymethanethioic S-acid
CID 138756853
methanesulfonic acid;methylphosphonic acid;nitromethane
CID 159871044
[hydroxy(sulfooxy)phosphoryl]phosphonic acid
CID 150163051
azane;sulfo dihydrogen phosphate;zinc
CID 175237614
calcium;trisodium;hydride;sulfo dihydrogen phosphate
CID 173350436
silver;phosphoric acid;nitrate;hydrochloride
CID 174586794

Frequently Asked Questions

What is the IUPAC name of nitro sulfo hydrogen phosphate?
The IUPAC name of nitro sulfo hydrogen phosphate (CID 154295491) is nitro sulfo hydrogen phosphate.
What is the SMILES notation for nitro sulfo hydrogen phosphate?
The canonical SMILES for nitro sulfo hydrogen phosphate is O=[N+]([O-])OP(=O)(O)OS(=O)(=O)O.
What is the InChIKey of nitro sulfo hydrogen phosphate?
The InChIKey is JKMPBSPRHJJQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/H2NO9PS/c2-1(3)9-11(4,5)10-12(6,7)8/h(H,4,5)(H,6,7,8).
What are the key properties of nitro sulfo hydrogen phosphate?
nitro sulfo hydrogen phosphate has a molecular weight of 223.05 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for nitro sulfo hydrogen phosphate is sourced from PubChem (CID 154295491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).