[hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium

C7H17NO6P+ — CID 148748152

IUPAC[hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium
SMILESC[N+](C)(C)COP(=O)(O)OCOCC=O
InChIInChI=1S/C7H16NO6P/c1-8(2,3)6-13-15(10,11)14-7-12-5-4-9/h4H,5-7H2,1-3H3/p+1
InChIKeyOEDVVONUBWFETB-UHFFFAOYSA-O
MW242.19 g/mol
LogP-0.04
Rot. Bonds8

About [hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium

[hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium (PubChem CID 148748152) has the molecular formula C7H17NO6P+ and a molecular weight of 242.19 g/mol. Its IUPAC name is [hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium.

Molecular Properties

Compound Name[hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium
PubChem CID148748152
Molecular FormulaC7H17NO6P+
Molecular Weight242.19 g/mol
Exact Mass242.08
IUPAC Name[hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium
SMILESC[N+](C)(C)COP(=O)(O)OCOCC=O
InChIInChI=1S/C7H16NO6P/c1-8(2,3)6-13-15(10,11)14-7-12-5-4-9/h4H,5-7H2,1-3H3/p+1
InChIKeyOEDVVONUBWFETB-UHFFFAOYSA-O
XLogP-0.04
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[hydroxy(2-prop-2-enoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 22568162
diethyl hydrogen phosphate;sulfane
CID 88774651
butyl-[2-[hydroxy(propoxymethoxy)phosphoryl]oxyethyl]-dimethylazanium
CID 91250963
carboxymethyl (trimethylazaniumyl)methyl phosphate
CID 59318554
tert-butyl 2-(2-oxoethoxy)acetate
CID 170899308
ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium
CID 58545238
[ethoxymethoxy(hydroxy)phosphoryl] [ethyl(methyl)phosphoryl] hydrogen phosphate
CID 59583557
2-[(3-formyloxy-2-oxopropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 90801438
alumane;ethoxymethyl octadecyl hydrogen phosphate
CID 173415444
2-[hydroxy(2-methylprop-2-enoyloxymethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 59319478
[hydroxy-[7-methyl-1-(methylamino)-1-oxooctan-4-yl]oxyphosphoryl]oxymethyl-trimethylazanium
CID 143416574
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071

Frequently Asked Questions

What is the IUPAC name of [hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium?
The IUPAC name of [hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium (CID 148748152) is [hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium.
What is the SMILES notation for [hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium?
The canonical SMILES for [hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium is C[N+](C)(C)COP(=O)(O)OCOCC=O.
What is the InChIKey of [hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium?
The InChIKey is OEDVVONUBWFETB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16NO6P/c1-8(2,3)6-13-15(10,11)14-7-12-5-4-9/h4H,5-7H2,1-3H3/p+1.
What are the key properties of [hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium?
[hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium has a molecular weight of 242.19 g/mol, XLogP of -0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(2-oxoethoxymethoxy)phosphoryl]oxymethyl-trimethylazanium is sourced from PubChem (CID 148748152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).