bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol

C3H13NO7P2+2 — CID 88831052

IUPACbis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol
SMILESCNC(C)O.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C3H9NO.2HO3P/c1-3(5)4-2;2*1-4(2)3/h3-5H,1-2H3;2*(H-,1,2,3)/p+2
InChIKeyFYBIBZPJXCYTJK-UHFFFAOYSA-P
MW237.09 g/mol
LogP-1.20
Rot. Bonds1

About bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol

bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol (PubChem CID 88831052) has the molecular formula C3H13NO7P2+2 and a molecular weight of 237.09 g/mol. Its IUPAC name is bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol.

Molecular Properties

Compound Namebis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol
PubChem CID88831052
Molecular FormulaC3H13NO7P2+2
Molecular Weight237.09 g/mol
Exact Mass237.02
IUPAC Namebis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol
SMILESCNC(C)O.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C3H9NO.2HO3P/c1-3(5)4-2;2*1-4(2)3/h3-5H,1-2H3;2*(H-,1,2,3)/p+2
InChIKeyFYBIBZPJXCYTJK-UHFFFAOYSA-P
XLogP-1.20
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.09
LogP ≤ 5-1.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol?
The IUPAC name of bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol (CID 88831052) is bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol.
What is the SMILES notation for bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol?
The canonical SMILES for bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol is CNC(C)O.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol?
The InChIKey is FYBIBZPJXCYTJK-UHFFFAOYSA-P. The full InChI is InChI=1S/C3H9NO.2HO3P/c1-3(5)4-2;2*1-4(2)3/h3-5H,1-2H3;2*(H-,1,2,3)/p+2.
What are the key properties of bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol?
bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol has a molecular weight of 237.09 g/mol, XLogP of -1.20, 1 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol is sourced from PubChem (CID 88831052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).