hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol

C3H11NO6P2+2 — CID 88831056

IUPAChydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol
SMILESCNC(C)O.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C3H9NO.O5P2/c1-3(5)4-2;1-6(2)5-7(3)4/h3-5H,1-2H3;/p+2
InChIKeyUVAQRZXNUFROEX-UHFFFAOYSA-P
MW219.07 g/mol
LogP-0.15
Rot. Bonds3

About hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol

hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol (PubChem CID 88831056) has the molecular formula C3H11NO6P2+2 and a molecular weight of 219.07 g/mol. Its IUPAC name is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol.

Molecular Properties

Compound Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol
PubChem CID88831056
Molecular FormulaC3H11NO6P2+2
Molecular Weight219.07 g/mol
Exact Mass219.01
IUPAC Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol
SMILESCNC(C)O.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C3H9NO.O5P2/c1-3(5)4-2;1-6(2)5-7(3)4/h3-5H,1-2H3;/p+2
InChIKeyUVAQRZXNUFROEX-UHFFFAOYSA-P
XLogP-0.15
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

bis(dihydroxy(oxo)phosphanium);1-(methylamino)ethanol
CID 88831052
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174395966
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;N-methylethanamine
CID 88757783
CID 161344555
CID 161344555
dihydroxy(oxo)phosphanium;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 157160211
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;vanadium
CID 175840101
1-(methylamino)ethanol;hydroiodide
CID 173051300
azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;manganese
CID 174488073
cyclohexane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174780446
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,1,3-trimethylurea
CID 87619388
ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174668717
N-methylacetamide;1-(methylamino)ethanol
CID 159501218

Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol?
The IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol (CID 88831056) is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol.
What is the SMILES notation for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol?
The canonical SMILES for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol is CNC(C)O.O=[P+](O)O[P+](=O)O.
What is the InChIKey of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol?
The InChIKey is UVAQRZXNUFROEX-UHFFFAOYSA-P. The full InChI is InChI=1S/C3H9NO.O5P2/c1-3(5)4-2;1-6(2)5-7(3)4/h3-5H,1-2H3;/p+2.
What are the key properties of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol?
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol has a molecular weight of 219.07 g/mol, XLogP of -0.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1-(methylamino)ethanol is sourced from PubChem (CID 88831056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).