3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium

C7H19NO4P+ — CID 170122908

IUPAC3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium
SMILESCOP(=O)(O)OCCC[N+](C)(C)C
InChIInChI=1S/C7H18NO4P/c1-8(2,3)6-5-7-12-13(9,10)11-4/h5-7H2,1-4H3/p+1
InChIKeyBYFDOTVOFZOLKK-UHFFFAOYSA-O
MW212.21 g/mol
LogP0.85
Rot. Bonds6

About 3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium

3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium (PubChem CID 170122908) has the molecular formula C7H19NO4P+ and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium.

Molecular Properties

Compound Name3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium
PubChem CID170122908
Molecular FormulaC7H19NO4P+
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium
SMILESCOP(=O)(O)OCCC[N+](C)(C)C
InChIInChI=1S/C7H18NO4P/c1-8(2,3)6-5-7-12-13(9,10)11-4/h5-7H2,1-4H3/p+1
InChIKeyBYFDOTVOFZOLKK-UHFFFAOYSA-O
XLogP0.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693850
3-[hydroxy(octadecoxy)phosphoryl]oxypropyl-trimethylazanium
CID 58922759
3-[hexadecoxy(hydroxy)phosphoryl]oxypropyl-trimethylazanium
CID 23641649
methyl octyl hydrogen phosphate
CID 13032455
methyl pentadecyl hydrogen phosphate
CID 175295583
2-[hydroxy(4-hydroxybutoxy)phosphoryl]oxyethyl-trimethylazanium
CID 91588858
azane;methyl octyl hydrogen phosphate
CID 175087561
(4-amino-4-oxobutyl) methyl hydrogen phosphate
CID 89393269
3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide
CID 16109
methyl 3-propan-2-yloxypropyl hydrogen phosphate
CID 89017051
2-[hydroxy(11-sulfanylundecoxy)phosphoryl]oxyethyl-trimethylazanium
CID 100986698
2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-trimethylazanium
CID 13292816

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium?
The IUPAC name of 3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium (CID 170122908) is 3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium.
What is the SMILES notation for 3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium?
The canonical SMILES for 3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium is COP(=O)(O)OCCC[N+](C)(C)C.
What is the InChIKey of 3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium?
The InChIKey is BYFDOTVOFZOLKK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H18NO4P/c1-8(2,3)6-5-7-12-13(9,10)11-4/h5-7H2,1-4H3/p+1.
What are the key properties of 3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium?
3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium has a molecular weight of 212.21 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium is sourced from PubChem (CID 170122908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).