hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea

C4H12N2O6P2+2 — CID 87619388

IUPAChydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea
SMILESCNC(=O)N(C)C.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C4H10N2O.O5P2/c1-5-4(7)6(2)3;1-6(2)5-7(3)4/h1-3H3,(H,5,7);/p+2
InChIKeyJHNJDXIYNPMAQO-UHFFFAOYSA-P
MW246.10 g/mol
LogP0.19
Rot. Bonds2

About hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea

hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea (PubChem CID 87619388) has the molecular formula C4H12N2O6P2+2 and a molecular weight of 246.10 g/mol. Its IUPAC name is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea.

Molecular Properties

Compound Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea
PubChem CID87619388
Molecular FormulaC4H12N2O6P2+2
Molecular Weight246.10 g/mol
Exact Mass246.02
IUPAC Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea
SMILESCNC(=O)N(C)C.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C4H10N2O.O5P2/c1-5-4(7)6(2)3;1-6(2)5-7(3)4/h1-3H3,(H,5,7);/p+2
InChIKeyJHNJDXIYNPMAQO-UHFFFAOYSA-P
XLogP0.19
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzene;ethane;1,1,3-trimethylurea
CID 91245695
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174395966
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine
CID 88757783
CID 161344555
CID 161344555
dihydroxy(oxo)phosphanium;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 157160211
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;vanadium
CID 175840101
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol
CID 88831056
azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;manganese
CID 174488073
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid
CID 88757252
cyclohexane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174780446
ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174668717
CID 142345131
CID 142345131

Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea?
The IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea (CID 87619388) is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea.
What is the SMILES notation for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea?
The canonical SMILES for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea is CNC(=O)N(C)C.O=[P+](O)O[P+](=O)O.
What is the InChIKey of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea?
The InChIKey is JHNJDXIYNPMAQO-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H10N2O.O5P2/c1-5-4(7)6(2)3;1-6(2)5-7(3)4/h1-3H3,(H,5,7);/p+2.
What are the key properties of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea?
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea has a molecular weight of 246.10 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea is sourced from PubChem (CID 87619388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).