2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C19H42N2O7P+ — CID 10622969

IUPAC2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOP(=O)(O)OC[C@@H](COCCCCCCN)OC1CCCCO1
InChIInChI=1S/C19H41N2O7P/c1-21(2,3)12-15-26-29(22,23)27-17-18(28-19-10-6-9-14-25-19)16-24-13-8-5-4-7-11-20/h18-19H,4-17,20H2,1-3H3/p+1/t18-,19?/m1/s1
InChIKeyMEQHSYITPFTBOI-MRTLOADZSA-O
MW441.53 g/mol
LogP2.27
Rot. Bonds17

About 2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium (PubChem CID 10622969) has the molecular formula C19H42N2O7P+ and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
PubChem CID10622969
Molecular FormulaC19H42N2O7P+
Molecular Weight441.53 g/mol
Exact Mass441.27
IUPAC Name2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOP(=O)(O)OC[C@@H](COCCCCCCN)OC1CCCCO1
InChIInChI=1S/C19H41N2O7P/c1-21(2,3)12-15-26-29(22,23)27-17-18(28-19-10-6-9-14-25-19)16-24-13-8-5-4-7-11-20/h18-19H,4-17,20H2,1-3H3/p+1/t18-,19?/m1/s1
InChIKeyMEQHSYITPFTBOI-MRTLOADZSA-O
XLogP2.27
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.27
H-Bond Donors ≤ 52
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-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]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-[[3-heptoxy-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 59440780
2-[[(2R)-2,3-didecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 137333771
2-[[2-(4-carboxybutoxy)-3-(15-carboxypentadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 46194598
2-[[(2R)-2-amino-3-octadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 11813200
2-[[(2R)-2-acetyloxy-3-decoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 86289470
2-[hydroxy-(3-nonoxy-2-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
CID 165231518
2-[[(2R)-2-(6-carboxyhexoxy)-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 87144070
2-[[(2S)-3-hexadecoxy-2-[(2R)-2-methylpentadecanoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 102014690
3-(oxan-2-yloxy)-4-propoxybutan-1-amine
CID 23468125
2-[5-cyclohexylpentoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 67502629
2-[(3-docosoxy-2-octanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 165217409
2-[(3-docosoxy-2-henicosanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 165279991

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium (CID 10622969) is 2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is C[N+](C)(C)CCOP(=O)(O)OC[C@@H](COCCCCCCN)OC1CCCCO1.
What is the InChIKey of 2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium?
The InChIKey is MEQHSYITPFTBOI-MRTLOADZSA-O. The full InChI is InChI=1S/C19H41N2O7P/c1-21(2,3)12-15-26-29(22,23)27-17-18(28-19-10-6-9-14-25-19)16-24-13-8-5-4-7-11-20/h18-19H,4-17,20H2,1-3H3/p+1/t18-,19?/m1/s1.
What are the key properties of 2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium?
2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium has a molecular weight of 441.53 g/mol, XLogP of 2.27, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 10622969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).