azane;hydron;phosphono dihydrogen phosphate

H12N2O7P2+2 — CID 173267420

IUPACazane;hydron;phosphono dihydrogen phosphate
SMILESN.N.O=P(O)(O)OP(=O)(O)O.[H+].[H+]
InChIInChI=1S/2H3N.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h2*1H3;(H2,1,2,3)(H2,4,5,6)/p+2
InChIKeyAXFZAZQUMXZWJV-UHFFFAOYSA-P
MW214.05 g/mol
LogP-0.26
Rot. Bonds2

About azane;hydron;phosphono dihydrogen phosphate

azane;hydron;phosphono dihydrogen phosphate (PubChem CID 173267420) has the molecular formula H12N2O7P2+2 and a molecular weight of 214.05 g/mol. Its IUPAC name is azane;hydron;phosphono dihydrogen phosphate.

Molecular Properties

Compound Nameazane;hydron;phosphono dihydrogen phosphate
PubChem CID173267420
Molecular FormulaH12N2O7P2+2
Molecular Weight214.05 g/mol
Exact Mass214.01
IUPAC Nameazane;hydron;phosphono dihydrogen phosphate
SMILESN.N.O=P(O)(O)OP(=O)(O)O.[H+].[H+]
InChIInChI=1S/2H3N.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h2*1H3;(H2,1,2,3)(H2,4,5,6)/p+2
InChIKeyAXFZAZQUMXZWJV-UHFFFAOYSA-P
XLogP-0.26
TPSA194.29 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.05
LogP ≤ 5-0.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 173013366
phosphono dihydrogen phosphate;tellane
CID 174550958
phosphono dihydrogen phosphate;silver
CID 131872547
dialuminum;phosphono dihydrogen phosphate
CID 175801807
magnesium pyrophosphate hydrate
CID 176515646
beryllium;hydride;phosphono dihydrogen phosphate
CID 174815084
manganese;phosphono dihydrogen phosphate;phosphoric acid
CID 174967015
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
copper;phosphono dihydrogen phosphate;phosphoric acid
CID 173436835
alumane;phosphono dihydrogen phosphate;zinc
CID 174869151
pentasodium;hydride;phosphono dihydrogen phosphate;hydrofluoride
CID 173313092
calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate
CID 175271302

Frequently Asked Questions

What is the IUPAC name of azane;hydron;phosphono dihydrogen phosphate?
The IUPAC name of azane;hydron;phosphono dihydrogen phosphate (CID 173267420) is azane;hydron;phosphono dihydrogen phosphate.
What is the SMILES notation for azane;hydron;phosphono dihydrogen phosphate?
The canonical SMILES for azane;hydron;phosphono dihydrogen phosphate is N.N.O=P(O)(O)OP(=O)(O)O.[H+].[H+].
What is the InChIKey of azane;hydron;phosphono dihydrogen phosphate?
The InChIKey is AXFZAZQUMXZWJV-UHFFFAOYSA-P. The full InChI is InChI=1S/2H3N.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h2*1H3;(H2,1,2,3)(H2,4,5,6)/p+2.
What are the key properties of azane;hydron;phosphono dihydrogen phosphate?
azane;hydron;phosphono dihydrogen phosphate has a molecular weight of 214.05 g/mol, XLogP of -0.26, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydron;phosphono dihydrogen phosphate is sourced from PubChem (CID 173267420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).