hydroxy-methyl-oxophosphanium;nitroxyl

CH5NO3P+ — CID 90711429

IUPAChydroxy-methyl-oxophosphanium;nitroxyl
SMILESC[P+](=O)O.N=O
InChIInChI=1S/CH3O2P.HNO/c1-4(2)3;1-2/h1H3;1H/p+1
InChIKeyTUUBBQGZZYVQAC-UHFFFAOYSA-O
MW110.03 g/mol
LogP0.68
Rot. Bonds

About hydroxy-methyl-oxophosphanium;nitroxyl

hydroxy-methyl-oxophosphanium;nitroxyl (PubChem CID 90711429) has the molecular formula CH5NO3P+ and a molecular weight of 110.03 g/mol. Its IUPAC name is hydroxy-methyl-oxophosphanium;nitroxyl.

Molecular Properties

Compound Namehydroxy-methyl-oxophosphanium;nitroxyl
PubChem CID90711429
Molecular FormulaCH5NO3P+
Molecular Weight110.03 g/mol
Exact Mass110.00
IUPAC Namehydroxy-methyl-oxophosphanium;nitroxyl
SMILESC[P+](=O)O.N=O
InChIInChI=1S/CH3O2P.HNO/c1-4(2)3;1-2/h1H3;1H/p+1
InChIKeyTUUBBQGZZYVQAC-UHFFFAOYSA-O
XLogP0.68
TPSA78.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.03
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-methyl-oxophosphanium;nitroxyl?
The IUPAC name of hydroxy-methyl-oxophosphanium;nitroxyl (CID 90711429) is hydroxy-methyl-oxophosphanium;nitroxyl.
What is the SMILES notation for hydroxy-methyl-oxophosphanium;nitroxyl?
The canonical SMILES for hydroxy-methyl-oxophosphanium;nitroxyl is C[P+](=O)O.N=O.
What is the InChIKey of hydroxy-methyl-oxophosphanium;nitroxyl?
The InChIKey is TUUBBQGZZYVQAC-UHFFFAOYSA-O. The full InChI is InChI=1S/CH3O2P.HNO/c1-4(2)3;1-2/h1H3;1H/p+1.
What are the key properties of hydroxy-methyl-oxophosphanium;nitroxyl?
hydroxy-methyl-oxophosphanium;nitroxyl has a molecular weight of 110.03 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methyl-oxophosphanium;nitroxyl is sourced from PubChem (CID 90711429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).