hydroxy-(hydroxymethylamino)-oxophosphanium

CH5NO3P+ — CID 88521030

IUPAChydroxy-(hydroxymethylamino)-oxophosphanium
SMILESO=[P+](O)NCO
InChIInChI=1S/CH4NO3P/c3-1-2-6(4)5/h3H,1H2,(H-,2,4,5)/p+1
InChIKeyHROZHBKVBLLNIA-UHFFFAOYSA-O
MW110.03 g/mol
LogP-0.82
Rot. Bonds2

About hydroxy-(hydroxymethylamino)-oxophosphanium

hydroxy-(hydroxymethylamino)-oxophosphanium (PubChem CID 88521030) has the molecular formula CH5NO3P+ and a molecular weight of 110.03 g/mol. Its IUPAC name is hydroxy-(hydroxymethylamino)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(hydroxymethylamino)-oxophosphanium
PubChem CID88521030
Molecular FormulaCH5NO3P+
Molecular Weight110.03 g/mol
Exact Mass110.00
IUPAC Namehydroxy-(hydroxymethylamino)-oxophosphanium
SMILESO=[P+](O)NCO
InChIInChI=1S/CH4NO3P/c3-1-2-6(4)5/h3H,1H2,(H-,2,4,5)/p+1
InChIKeyHROZHBKVBLLNIA-UHFFFAOYSA-O
XLogP-0.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.03
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 hydroxy-(hydroxymethylamino)-oxophosphanium?
The IUPAC name of hydroxy-(hydroxymethylamino)-oxophosphanium (CID 88521030) is hydroxy-(hydroxymethylamino)-oxophosphanium.
What is the SMILES notation for hydroxy-(hydroxymethylamino)-oxophosphanium?
The canonical SMILES for hydroxy-(hydroxymethylamino)-oxophosphanium is O=[P+](O)NCO.
What is the InChIKey of hydroxy-(hydroxymethylamino)-oxophosphanium?
The InChIKey is HROZHBKVBLLNIA-UHFFFAOYSA-O. The full InChI is InChI=1S/CH4NO3P/c3-1-2-6(4)5/h3H,1H2,(H-,2,4,5)/p+1.
What are the key properties of hydroxy-(hydroxymethylamino)-oxophosphanium?
hydroxy-(hydroxymethylamino)-oxophosphanium has a molecular weight of 110.03 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(hydroxymethylamino)-oxophosphanium is sourced from PubChem (CID 88521030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).