ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium

C10H29NO4P+ — CID 176693850

IUPACethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESCC.CC.COP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C6H16NO4P.2C2H6/c1-7(2,3)5-6-11-12(8,9)10-4;2*1-2/h5-6H2,1-4H3;2*1-2H3/p+1
InChIKeyVJUIZDBXRLYASR-UHFFFAOYSA-O
MW258.32 g/mol
LogP2.51
Rot. Bonds5

About ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium

ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium (PubChem CID 176693850) has the molecular formula C10H29NO4P+ and a molecular weight of 258.32 g/mol. Its IUPAC name is ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Nameethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
PubChem CID176693850
Molecular FormulaC10H29NO4P+
Molecular Weight258.32 g/mol
Exact Mass258.18
IUPAC Nameethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESCC.CC.COP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C6H16NO4P.2C2H6/c1-7(2,3)5-6-11-12(8,9)10-4;2*1-2/h5-6H2,1-4H3;2*1-2H3/p+1
InChIKeyVJUIZDBXRLYASR-UHFFFAOYSA-O
XLogP2.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium
CID 170122908
2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-trimethylazanium
CID 13292816
2-[hydroxy(4-hydroxybutoxy)phosphoryl]oxyethyl-trimethylazanium
CID 91588858
2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 46830550
2-[hydroxy(2-methylprop-1-enoxy)phosphoryl]oxyethyl-trimethylazanium
CID 175214536
trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride
CID 87786144
ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693760
2-[but-3-ynoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 175231665
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200
calcium;sodium;hydride;trimethyl(2-phosphonooxyethyl)azanium
CID 174453960
2-(trimethylazaniumyl)ethyl hydrogen phosphate;hydrate
CID 90410935
2-[1,2-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 54074824

Frequently Asked Questions

What is the IUPAC name of ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium (CID 176693850) is ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium is CC.CC.COP(=O)(O)OCC[N+](C)(C)C.
What is the InChIKey of ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium?
The InChIKey is VJUIZDBXRLYASR-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H16NO4P.2C2H6/c1-7(2,3)5-6-11-12(8,9)10-4;2*1-2/h5-6H2,1-4H3;2*1-2H3/p+1.
What are the key properties of ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium?
ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium has a molecular weight of 258.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 176693850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).