azane;phosphoric acid

H21NO24P6 — CID 174789402

IUPACazane;phosphoric acid
SMILESN.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/H3N.6H3O4P/c;6*1-5(2,3)4/h1H3;6*(H3,1,2,3,4)
InChIKeySWDWVOLJTIWWCE-UHFFFAOYSA-N
MW605.00 g/mol
LogP-5.41
Rot. Bonds

About azane;phosphoric acid

azane;phosphoric acid (PubChem CID 174789402) has the molecular formula H21NO24P6 and a molecular weight of 605.00 g/mol. Its IUPAC name is azane;phosphoric acid.

Molecular Properties

Compound Nameazane;phosphoric acid
PubChem CID174789402
Molecular FormulaH21NO24P6
Molecular Weight605.00 g/mol
Exact Mass604.89
IUPAC Nameazane;phosphoric acid
SMILESN.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/H3N.6H3O4P/c;6*1-5(2,3)4/h1H3;6*(H3,1,2,3,4)
InChIKeySWDWVOLJTIWWCE-UHFFFAOYSA-N
XLogP-5.41
TPSA501.56 Ų
H-Bond Donors19
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.00
LogP ≤ 5-5.41
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 172998917
CID 172998917
azane;phosphoric acid;hydrate
CID 173222009
azane;phosphoric acid;dihydrochloride
CID 173049818
azane;methane;phosphoric acid
CID 174060347
azane;iron;phosphoric acid
CID 174725470
azane;phosphoric acid;tungsten
CID 174566468
lithium;azane;hydride;phosphoric acid
CID 173015565
cesium;azane;hydride;phosphoric acid
CID 174611777
calcium;azane;hydride;phosphoric acid
CID 174906772
azane;phosphane;phosphoric acid;sulfane
CID 174747347
azane;hydroxylamine;phosphoric acid
CID 173277328
CID 131878072
CID 131878072

Frequently Asked Questions

What is the IUPAC name of azane;phosphoric acid?
The IUPAC name of azane;phosphoric acid (CID 174789402) is azane;phosphoric acid.
What is the SMILES notation for azane;phosphoric acid?
The canonical SMILES for azane;phosphoric acid is N.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of azane;phosphoric acid?
The InChIKey is SWDWVOLJTIWWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N.6H3O4P/c;6*1-5(2,3)4/h1H3;6*(H3,1,2,3,4).
What are the key properties of azane;phosphoric acid?
azane;phosphoric acid has a molecular weight of 605.00 g/mol, XLogP of -5.41, 0 rotatable bonds, 19 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphoric acid is sourced from PubChem (CID 174789402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).