hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine

C3H11NO5P2+2 — CID 88757783

IUPAChydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine
SMILESCCNC.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C3H9N.O5P2/c1-3-4-2;1-6(2)5-7(3)4/h4H,3H2,1-2H3;/p+2
InChIKeyKZOGSCIWHNYJSH-UHFFFAOYSA-P
MW203.07 g/mol
LogP0.53
Rot. Bonds3

About hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine

hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine (PubChem CID 88757783) has the molecular formula C3H11NO5P2+2 and a molecular weight of 203.07 g/mol. Its IUPAC name is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine.

Molecular Properties

Compound Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine
PubChem CID88757783
Molecular FormulaC3H11NO5P2+2
Molecular Weight203.07 g/mol
Exact Mass203.01
IUPAC Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine
SMILESCCNC.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C3H9N.O5P2/c1-3-4-2;1-6(2)5-7(3)4/h4H,3H2,1-2H3;/p+2
InChIKeyKZOGSCIWHNYJSH-UHFFFAOYSA-P
XLogP0.53
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174668717
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174395966
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid
CID 88757252
CID 161344555
CID 161344555
dihydroxy(oxo)phosphanium;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 157160211
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;vanadium
CID 175840101
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol
CID 88831056
azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;manganese
CID 174488073
ethylamino-hydroxy-oxophosphanium
CID 173156708
ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 158835413
cyclohexane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174780446
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea
CID 87619388

Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine?
The IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine (CID 88757783) is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine.
What is the SMILES notation for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine?
The canonical SMILES for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine is CCNC.O=[P+](O)O[P+](=O)O.
What is the InChIKey of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine?
The InChIKey is KZOGSCIWHNYJSH-UHFFFAOYSA-P. The full InChI is InChI=1S/C3H9N.O5P2/c1-3-4-2;1-6(2)5-7(3)4/h4H,3H2,1-2H3;/p+2.
What are the key properties of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine?
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine has a molecular weight of 203.07 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine is sourced from PubChem (CID 88757783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).