dinitro hydrogen phosphate

HN2O8P — CID 18673450

IUPACdinitro hydrogen phosphate
SMILESO=[N+]([O-])OP(=O)(O)O[N+](=O)[O-]
InChIInChI=1S/HN2O8P/c3-1(4)9-11(7,8)10-2(5)6/h(H,7,8)
InChIKeyIZKNMTBHIBUXJK-UHFFFAOYSA-N
MW187.99 g/mol
LogP-0.50
Rot. Bonds4

About dinitro hydrogen phosphate

dinitro hydrogen phosphate (PubChem CID 18673450) has the molecular formula HN2O8P and a molecular weight of 187.99 g/mol. Its IUPAC name is dinitro hydrogen phosphate.

Molecular Properties

Compound Namedinitro hydrogen phosphate
PubChem CID18673450
Molecular FormulaHN2O8P
Molecular Weight187.99 g/mol
Exact Mass187.95
IUPAC Namedinitro hydrogen phosphate
SMILESO=[N+]([O-])OP(=O)(O)O[N+](=O)[O-]
InChIInChI=1S/HN2O8P/c3-1(4)9-11(7,8)10-2(5)6/h(H,7,8)
InChIKeyIZKNMTBHIBUXJK-UHFFFAOYSA-N
XLogP-0.50
TPSA142.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.99
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
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'}

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Related Compounds

azane;nitro dihydrogen phosphate
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nitro sulfo hydrogen phosphate
CID 154295491
disodium;hydride;nitro dihydrogen phosphate;nitrous acid
CID 174909653
nitro phenyl hydrogen phosphate;dihydrochloride
CID 67892340
potassium;azane;phosphoric acid;nitrate
CID 174851331
azane;nitric acid;phosphoric acid
CID 173051793
silver;phosphoric acid;nitrate;hydrochloride
CID 174586794
CID 172744978
CID 172744978
lanthanum;lanthanum(3+);phosphoric acid;nitrate
CID 173204208
(2-chlorophenyl) nitro hydrogen phosphate
CID 139740859
potassium;azane;nitric acid;phosphoric acid;nitrate
CID 174659814
potassium;azane;nitric acid;phosphoric acid;nitrate
CID 174647976

Frequently Asked Questions

What is the IUPAC name of dinitro hydrogen phosphate?
The IUPAC name of dinitro hydrogen phosphate (CID 18673450) is dinitro hydrogen phosphate.
What is the SMILES notation for dinitro hydrogen phosphate?
The canonical SMILES for dinitro hydrogen phosphate is O=[N+]([O-])OP(=O)(O)O[N+](=O)[O-].
What is the InChIKey of dinitro hydrogen phosphate?
The InChIKey is IZKNMTBHIBUXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/HN2O8P/c3-1(4)9-11(7,8)10-2(5)6/h(H,7,8).
What are the key properties of dinitro hydrogen phosphate?
dinitro hydrogen phosphate has a molecular weight of 187.99 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dinitro hydrogen phosphate is sourced from PubChem (CID 18673450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).