methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine

C6H16I2NO4P — CID 159899690

IUPACmethyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
SMILESCOP(=O)([O-])OCC[N+](C)(C)C.II
InChIInChI=1S/C6H16NO4P.I2/c1-7(2,3)5-6-11-12(8,9)10-4;1-2/h5-6H2,1-4H3;
InChIKeyNVUITIALEJJFEB-UHFFFAOYSA-N
MW450.98 g/mol
LogP1.60
Rot. Bonds5

About methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine

methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine (PubChem CID 159899690) has the molecular formula C6H16I2NO4P and a molecular weight of 450.98 g/mol. Its IUPAC name is methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine.

Molecular Properties

Compound Namemethyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
PubChem CID159899690
Molecular FormulaC6H16I2NO4P
Molecular Weight450.98 g/mol
Exact Mass450.89
IUPAC Namemethyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
SMILESCOP(=O)([O-])OCC[N+](C)(C)C.II
InChIInChI=1S/C6H16NO4P.I2/c1-7(2,3)5-6-11-12(8,9)10-4;1-2/h5-6H2,1-4H3;
InChIKeyNVUITIALEJJFEB-UHFFFAOYSA-N
XLogP1.60
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.98
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

32-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydotriacontyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11366358
2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate
CID 153309185
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
CID 58922621
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
CID 171699407
prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11535902
henicosyl 2-(trimethylazaniumyl)ethyl phosphate
CID 24836767
2-(trimethylazaniumyl)ethyl hydrogen phosphate;hydrate
CID 90410935
2-aminoethyl methyl phosphate
CID 59620632
2-bromoethyl methyl phosphate
CID 20702667
2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 174291074
2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
CID 163641809
ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693850

Frequently Asked Questions

What is the IUPAC name of methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine?
The IUPAC name of methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine (CID 159899690) is methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine.
What is the SMILES notation for methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine?
The canonical SMILES for methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine is COP(=O)([O-])OCC[N+](C)(C)C.II.
What is the InChIKey of methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine?
The InChIKey is NVUITIALEJJFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO4P.I2/c1-7(2,3)5-6-11-12(8,9)10-4;1-2/h5-6H2,1-4H3;.
What are the key properties of methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine?
methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine has a molecular weight of 450.98 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine is sourced from PubChem (CID 159899690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).