triazanium;carbamoyl phosphate;hydrogen carbonate

C2H15N4O8P — CID 160887362

IUPACtriazanium;carbamoyl phosphate;hydrogen carbonate
SMILESNC(=O)OP(=O)([O-])[O-].O=C([O-])O.[NH4+].[NH4+].[NH4+]
InChIInChI=1S/CH4NO5P.CH2O3.3H3N/c2-1(3)7-8(4,5)6;2-1(3)4;;;/h(H2,2,3)(H2,4,5,6);(H2,2,3,4);3*1H3
InChIKeySNUWNWLMSRZWRV-UHFFFAOYSA-N
MW254.14 g/mol
LogP-2.07
Rot. Bonds1

About triazanium;carbamoyl phosphate;hydrogen carbonate

triazanium;carbamoyl phosphate;hydrogen carbonate (PubChem CID 160887362) has the molecular formula C2H15N4O8P and a molecular weight of 254.14 g/mol. Its IUPAC name is triazanium;carbamoyl phosphate;hydrogen carbonate.

Molecular Properties

Compound Nametriazanium;carbamoyl phosphate;hydrogen carbonate
PubChem CID160887362
Molecular FormulaC2H15N4O8P
Molecular Weight254.14 g/mol
Exact Mass254.06
IUPAC Nametriazanium;carbamoyl phosphate;hydrogen carbonate
SMILESNC(=O)OP(=O)([O-])[O-].O=C([O-])O.[NH4+].[NH4+].[NH4+]
InChIInChI=1S/CH4NO5P.CH2O3.3H3N/c2-1(3)7-8(4,5)6;2-1(3)4;;;/h(H2,2,3)(H2,4,5,6);(H2,2,3,4);3*1H3
InChIKeySNUWNWLMSRZWRV-UHFFFAOYSA-N
XLogP-2.07
TPSA285.37 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 5-2.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

triazanium;hydrogen carbonate;hydrogen phosphate
CID 161106274
trisodium;hydrogen carbonate;hydrogen phosphate;dodecahydrate
CID 171618246
sodium;2,3-dihydroxy-4-oxo-4-phosphonatooxybutanoate;nickel(2+)
CID 175079698
sodium;hydride;phosphono carbamate
CID 173413043
pentaazanium;hydrogen carbonate
CID 159428979
potassium 2-phosphonatooxyprop-2-enoate
CID 139597131
Carbamic acid, monoanhydride with phosphoric acid, dilithium salt
CID 87130155
sodium;carbonic acid;iron(2+);phosphate
CID 175564930
calcium (2-aminoacetyl) phosphate
CID 170308225
dipotassium;(2-aminoacetyl) phosphate
CID 22483641
hexatriacontasodium;carbonic acid;hydrogen carbonate
CID 173333851
sodium;hydrogen carbonate;rhodium(3+)
CID 158976789

Frequently Asked Questions

What is the IUPAC name of triazanium;carbamoyl phosphate;hydrogen carbonate?
The IUPAC name of triazanium;carbamoyl phosphate;hydrogen carbonate (CID 160887362) is triazanium;carbamoyl phosphate;hydrogen carbonate.
What is the SMILES notation for triazanium;carbamoyl phosphate;hydrogen carbonate?
The canonical SMILES for triazanium;carbamoyl phosphate;hydrogen carbonate is NC(=O)OP(=O)([O-])[O-].O=C([O-])O.[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;carbamoyl phosphate;hydrogen carbonate?
The InChIKey is SNUWNWLMSRZWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4NO5P.CH2O3.3H3N/c2-1(3)7-8(4,5)6;2-1(3)4;;;/h(H2,2,3)(H2,4,5,6);(H2,2,3,4);3*1H3.
What are the key properties of triazanium;carbamoyl phosphate;hydrogen carbonate?
triazanium;carbamoyl phosphate;hydrogen carbonate has a molecular weight of 254.14 g/mol, XLogP of -2.07, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;carbamoyl phosphate;hydrogen carbonate is sourced from PubChem (CID 160887362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).