azane;hydroxy-(hydroxymethoxy)-oxophosphanium

CH7NO4P+ — CID 175032722

IUPACazane;hydroxy-(hydroxymethoxy)-oxophosphanium
SMILESN.O=[P+](O)OCO
InChIInChI=1S/CH3O4P.H3N/c2-1-5-6(3)4;/h2H,1H2;1H3/p+1
InChIKeySJELNMALTAYYSS-UHFFFAOYSA-O
MW128.04 g/mol
LogP-0.24
Rot. Bonds2

About azane;hydroxy-(hydroxymethoxy)-oxophosphanium

azane;hydroxy-(hydroxymethoxy)-oxophosphanium (PubChem CID 175032722) has the molecular formula CH7NO4P+ and a molecular weight of 128.04 g/mol. Its IUPAC name is azane;hydroxy-(hydroxymethoxy)-oxophosphanium.

Molecular Properties

Compound Nameazane;hydroxy-(hydroxymethoxy)-oxophosphanium
PubChem CID175032722
Molecular FormulaCH7NO4P+
Molecular Weight128.04 g/mol
Exact Mass128.01
IUPAC Nameazane;hydroxy-(hydroxymethoxy)-oxophosphanium
SMILESN.O=[P+](O)OCO
InChIInChI=1S/CH3O4P.H3N/c2-1-5-6(3)4;/h2H,1H2;1H3/p+1
InChIKeySJELNMALTAYYSS-UHFFFAOYSA-O
XLogP-0.24
TPSA101.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.04
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
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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Related Compounds

hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
CID 174980367
1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium
CID 88620344
hydroxymethoxy-oxido-oxophosphanium
CID 152749176
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
CID 6368648
CID 6368648
hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104
2-aminoethoxy-hydroxy-oxophosphanium
CID 18512670
hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium
CID 122542023
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;manganese
CID 174488073
hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane
CID 87604584
3-bromopropoxy-hydroxy-oxophosphanium
CID 87515088

Frequently Asked Questions

What is the IUPAC name of azane;hydroxy-(hydroxymethoxy)-oxophosphanium?
The IUPAC name of azane;hydroxy-(hydroxymethoxy)-oxophosphanium (CID 175032722) is azane;hydroxy-(hydroxymethoxy)-oxophosphanium.
What is the SMILES notation for azane;hydroxy-(hydroxymethoxy)-oxophosphanium?
The canonical SMILES for azane;hydroxy-(hydroxymethoxy)-oxophosphanium is N.O=[P+](O)OCO.
What is the InChIKey of azane;hydroxy-(hydroxymethoxy)-oxophosphanium?
The InChIKey is SJELNMALTAYYSS-UHFFFAOYSA-O. The full InChI is InChI=1S/CH3O4P.H3N/c2-1-5-6(3)4;/h2H,1H2;1H3/p+1.
What are the key properties of azane;hydroxy-(hydroxymethoxy)-oxophosphanium?
azane;hydroxy-(hydroxymethoxy)-oxophosphanium has a molecular weight of 128.04 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxy-(hydroxymethoxy)-oxophosphanium is sourced from PubChem (CID 175032722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).