dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium

C4H15NO7P2+2 — CID 89011196

IUPACdihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium
SMILESC[P+](O)(O)ON(CCO)C[P+](O)(O)O
InChIInChI=1S/C4H15NO7P2/c1-13(7,8)12-5(2-3-6)4-14(9,10)11/h6-11H,2-4H2,1H3/q+2
InChIKeyQZTGTNZGYXRYCX-UHFFFAOYSA-N
MW251.11 g/mol
LogP-1.71
Rot. Bonds6

About dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium

dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium (PubChem CID 89011196) has the molecular formula C4H15NO7P2+2 and a molecular weight of 251.11 g/mol. Its IUPAC name is dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium.

Molecular Properties

Compound Namedihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium
PubChem CID89011196
Molecular FormulaC4H15NO7P2+2
Molecular Weight251.11 g/mol
Exact Mass251.03
IUPAC Namedihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium
SMILESC[P+](O)(O)ON(CCO)C[P+](O)(O)O
InChIInChI=1S/C4H15NO7P2/c1-13(7,8)12-5(2-3-6)4-14(9,10)11/h6-11H,2-4H2,1H3/q+2
InChIKeyQZTGTNZGYXRYCX-UHFFFAOYSA-N
XLogP-1.71
TPSA133.85 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.11
LogP ≤ 5-1.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium?
The IUPAC name of dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium (CID 89011196) is dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium.
What is the SMILES notation for dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium?
The canonical SMILES for dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium is C[P+](O)(O)ON(CCO)C[P+](O)(O)O.
What is the InChIKey of dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium?
The InChIKey is QZTGTNZGYXRYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H15NO7P2/c1-13(7,8)12-5(2-3-6)4-14(9,10)11/h6-11H,2-4H2,1H3/q+2.
What are the key properties of dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium?
dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium has a molecular weight of 251.11 g/mol, XLogP of -1.71, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-[2-hydroxyethyl(trihydroxyphosphaniumylmethyl)amino]oxy-methylphosphanium is sourced from PubChem (CID 89011196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).