bis(diaminomethoxy)-oxophosphanium

C2H10N4O3P+ — CID 88635962

IUPACbis(diaminomethoxy)-oxophosphanium
SMILESNC(N)O[P+](=O)OC(N)N
InChIInChI=1S/C2H10N4O3P/c3-1(4)8-10(7)9-2(5)6/h1-2H,3-6H2/q+1
InChIKeyDPWVIWCJSCUEMG-UHFFFAOYSA-N
MW169.10 g/mol
LogP-1.92
Rot. Bonds4

About bis(diaminomethoxy)-oxophosphanium

bis(diaminomethoxy)-oxophosphanium (PubChem CID 88635962) has the molecular formula C2H10N4O3P+ and a molecular weight of 169.10 g/mol. Its IUPAC name is bis(diaminomethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(diaminomethoxy)-oxophosphanium
PubChem CID88635962
Molecular FormulaC2H10N4O3P+
Molecular Weight169.10 g/mol
Exact Mass169.05
IUPAC Namebis(diaminomethoxy)-oxophosphanium
SMILESNC(N)O[P+](=O)OC(N)N
InChIInChI=1S/C2H10N4O3P/c3-1(4)8-10(7)9-2(5)6/h1-2H,3-6H2/q+1
InChIKeyDPWVIWCJSCUEMG-UHFFFAOYSA-N
XLogP-1.92
TPSA139.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(1-amino-2-methyl-2-sulfanylpropoxy)-oxophosphanium
CID 56976746
bis(1,2-diaminobutoxy)-oxophosphanium
CID 57302111
bis(difluoromethoxy)-oxophosphanium
CID 21265767
bis(4-aminobutan-2-yloxy)-oxophosphanium
CID 88803000
di(heptan-4-yloxy)-oxophosphanium
CID 57260615
bis[chloro(cyano)methoxy]-oxophosphanium
CID 87671692
bis(1-chloro-2,2,2-trihydroxyethoxy)-oxophosphanium
CID 175251788
bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium
CID 174588325
[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium
CID 87190304
dibenzhydryloxy(oxo)phosphanium
CID 57050024
bis(4-hydroxyhexan-3-yloxy)-oxophosphanium
CID 91487781
bis(1-carboxyprop-2-enoxy)-oxophosphanium
CID 87520434

Frequently Asked Questions

What is the IUPAC name of bis(diaminomethoxy)-oxophosphanium?
The IUPAC name of bis(diaminomethoxy)-oxophosphanium (CID 88635962) is bis(diaminomethoxy)-oxophosphanium.
What is the SMILES notation for bis(diaminomethoxy)-oxophosphanium?
The canonical SMILES for bis(diaminomethoxy)-oxophosphanium is NC(N)O[P+](=O)OC(N)N.
What is the InChIKey of bis(diaminomethoxy)-oxophosphanium?
The InChIKey is DPWVIWCJSCUEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H10N4O3P/c3-1(4)8-10(7)9-2(5)6/h1-2H,3-6H2/q+1.
What are the key properties of bis(diaminomethoxy)-oxophosphanium?
bis(diaminomethoxy)-oxophosphanium has a molecular weight of 169.10 g/mol, XLogP of -1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diaminomethoxy)-oxophosphanium is sourced from PubChem (CID 88635962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).