disodium;phosphoric acid;nitrate;nitrite

H3N2Na2O9P — CID 22990456

IUPACdisodium;phosphoric acid;nitrate;nitrite
SMILESO=N[O-].O=P(O)(O)O.O=[N+]([O-])[O-].[Na+].[Na+]
InChIInChI=1S/NO3.HNO2.2Na.H3O4P/c2-1(3)4;2-1-3;;;1-5(2,3)4/h;(H,2,3);;;(H3,1,2,3,4)/q-1;;2*+1;/p-1
InChIKeyOXXPMKYISFLFGQ-UHFFFAOYSA-M
MW251.98 g/mol
LogP-6.91
Rot. Bonds

About disodium;phosphoric acid;nitrate;nitrite

disodium;phosphoric acid;nitrate;nitrite (PubChem CID 22990456) has the molecular formula H3N2Na2O9P and a molecular weight of 251.98 g/mol. Its IUPAC name is disodium;phosphoric acid;nitrate;nitrite.

Molecular Properties

Compound Namedisodium;phosphoric acid;nitrate;nitrite
PubChem CID22990456
Molecular FormulaH3N2Na2O9P
Molecular Weight251.98 g/mol
Exact Mass251.94
IUPAC Namedisodium;phosphoric acid;nitrate;nitrite
SMILESO=N[O-].O=P(O)(O)O.O=[N+]([O-])[O-].[Na+].[Na+]
InChIInChI=1S/NO3.HNO2.2Na.H3O4P/c2-1(3)4;2-1-3;;;1-5(2,3)4/h;(H,2,3);;;(H3,1,2,3,4)/q-1;;2*+1;/p-1
InChIKeyOXXPMKYISFLFGQ-UHFFFAOYSA-M
XLogP-6.91
TPSA196.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.98
LogP ≤ 5-6.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

sodium;nitric acid;phosphoric acid;nitrite
CID 172779040
nitrate nitrite
CID 22182872
silver;phosphoric acid;nitrate;hydrochloride
CID 174586794
potassium;azane;phosphoric acid;nitrate
CID 174851331
sodium;nitric acid;nitrite
CID 22990458
lanthanum;lanthanum(3+);phosphoric acid;nitrate
CID 173204208
ruthenium(2+);nitrate;nitrite
CID 175288692
dysprosium;dinitrate;nitrite;hexahydrate
CID 174912921
potassium;azane;nitric acid;phosphoric acid;nitrate
CID 174659814
potassium;azane;nitric acid;phosphoric acid;nitrate
CID 174647976
CID 172744978
CID 172744978
azane;nitric acid;phosphoric acid
CID 173051793

Frequently Asked Questions

What is the IUPAC name of disodium;phosphoric acid;nitrate;nitrite?
The IUPAC name of disodium;phosphoric acid;nitrate;nitrite (CID 22990456) is disodium;phosphoric acid;nitrate;nitrite.
What is the SMILES notation for disodium;phosphoric acid;nitrate;nitrite?
The canonical SMILES for disodium;phosphoric acid;nitrate;nitrite is O=N[O-].O=P(O)(O)O.O=[N+]([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;phosphoric acid;nitrate;nitrite?
The InChIKey is OXXPMKYISFLFGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/NO3.HNO2.2Na.H3O4P/c2-1(3)4;2-1-3;;;1-5(2,3)4/h;(H,2,3);;;(H3,1,2,3,4)/q-1;;2*+1;/p-1.
What are the key properties of disodium;phosphoric acid;nitrate;nitrite?
disodium;phosphoric acid;nitrate;nitrite has a molecular weight of 251.98 g/mol, XLogP of -6.91, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;phosphoric acid;nitrate;nitrite is sourced from PubChem (CID 22990456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).