pentaazanium;hydrogen carbonate

C5H25N5O15 — CID 159428979

IUPACpentaazanium;hydrogen carbonate
SMILESO=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/5CH2O3.5H3N/c5*2-1(3)4;;;;;/h5*(H2,2,3,4);5*1H3
InChIKeyBXRSYHDUGMZZFL-UHFFFAOYSA-N
MW395.27 g/mol
LogP-3.68
Rot. Bonds

About pentaazanium;hydrogen carbonate

pentaazanium;hydrogen carbonate (PubChem CID 159428979) has the molecular formula C5H25N5O15 and a molecular weight of 395.27 g/mol. Its IUPAC name is pentaazanium;hydrogen carbonate.

Molecular Properties

Compound Namepentaazanium;hydrogen carbonate
PubChem CID159428979
Molecular FormulaC5H25N5O15
Molecular Weight395.27 g/mol
Exact Mass395.13
IUPAC Namepentaazanium;hydrogen carbonate
SMILESO=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/5CH2O3.5H3N/c5*2-1(3)4;;;;;/h5*(H2,2,3,4);5*1H3
InChIKeyBXRSYHDUGMZZFL-UHFFFAOYSA-N
XLogP-3.68
TPSA484.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.27
LogP ≤ 5-3.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of pentaazanium;hydrogen carbonate?
The IUPAC name of pentaazanium;hydrogen carbonate (CID 159428979) is pentaazanium;hydrogen carbonate.
What is the SMILES notation for pentaazanium;hydrogen carbonate?
The canonical SMILES for pentaazanium;hydrogen carbonate is O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of pentaazanium;hydrogen carbonate?
The InChIKey is BXRSYHDUGMZZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/5CH2O3.5H3N/c5*2-1(3)4;;;;;/h5*(H2,2,3,4);5*1H3.
What are the key properties of pentaazanium;hydrogen carbonate?
pentaazanium;hydrogen carbonate has a molecular weight of 395.27 g/mol, XLogP of -3.68, 0 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentaazanium;hydrogen carbonate is sourced from PubChem (CID 159428979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).