2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium

C15H33NO8P+ — CID 163563258

IUPAC2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
SMILESCOCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCC(=O)OC
InChIInChI=1S/C15H32NO8P/c1-16(2,3)9-11-23-25(18,19)24-13-14(12-20-4)22-10-7-6-8-15(17)21-5/h14H,6-13H2,1-5H3/p+1
InChIKeyFTBKMPKCRPQONE-UHFFFAOYSA-O
MW386.40 g/mol
LogP1.20
Rot. Bonds15

About 2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium (PubChem CID 163563258) has the molecular formula C15H33NO8P+ and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
PubChem CID163563258
Molecular FormulaC15H33NO8P+
Molecular Weight386.40 g/mol
Exact Mass386.19
IUPAC Name2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
SMILESCOCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCC(=O)OC
InChIInChI=1S/C15H32NO8P/c1-16(2,3)9-11-23-25(18,19)24-13-14(12-20-4)22-10-7-6-8-15(17)21-5/h14H,6-13H2,1-5H3/p+1
InChIKeyFTBKMPKCRPQONE-UHFFFAOYSA-O
XLogP1.20
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze 2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-3-hexadecanoyloxy-2-octadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 135397771
2-[[2-(4-carboxybutoxy)-3-(15-carboxypentadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 46194598
[(2R)-3-(16-methoxy-16-oxohexadecoxy)-2-(5-methoxy-5-oxopentoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 87356824
2-[[(2R)-2-(6-carboxyhexoxy)-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 87144070
2-[[(2R)-2,3-didecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 137333771
2-[[3-(decanoylamino)-2-dodecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 514210
2-[(3-hexanoyloxy-2-methoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 161181353
2-[[(2R)-3-hexadecanoyloxy-2-(12-methoxydodecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 10652356
2-[hydroxy-[(2R)-2-octadeca-9,12-dienoxy-3-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
CID 91252841
2-[hydroxy-[(2S)-3-hydroxy-2-tetracosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
CID 18605430
methyl 5-[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptadecoxypropan-2-yl]oxypentanoate
CID 88909302
2-[(2-heptanoyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 138285155

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium (CID 163563258) is 2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium is COCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCC(=O)OC.
What is the InChIKey of 2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium?
The InChIKey is FTBKMPKCRPQONE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H32NO8P/c1-16(2,3)9-11-23-25(18,19)24-13-14(12-20-4)22-10-7-6-8-15(17)21-5/h14H,6-13H2,1-5H3/p+1.
What are the key properties of 2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium?
2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium has a molecular weight of 386.40 g/mol, XLogP of 1.20, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[3-methoxy-2-(5-methoxy-5-oxopentoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 163563258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).