2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium

C14H29NO8P+ — CID 59153667

IUPAC2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium
SMILESC=CC(=O)OCC(COCCOC)OP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C14H28NO8P/c1-6-14(16)21-12-13(11-20-10-9-19-5)23-24(17,18)22-8-7-15(2,3)4/h6,13H,1,7-12H2,2-5H3/p+1
InChIKeyUMEROCJFUVETSY-UHFFFAOYSA-O
MW370.36 g/mol
LogP0.59
Rot. Bonds14

About 2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium (PubChem CID 59153667) has the molecular formula C14H29NO8P+ and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium
PubChem CID59153667
Molecular FormulaC14H29NO8P+
Molecular Weight370.36 g/mol
Exact Mass370.16
IUPAC Name2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium
SMILESC=CC(=O)OCC(COCCOC)OP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C14H28NO8P/c1-6-14(16)21-12-13(11-20-10-9-19-5)23-24(17,18)22-8-7-15(2,3)4/h6,13H,1,7-12H2,2-5H3/p+1
InChIKeyUMEROCJFUVETSY-UHFFFAOYSA-O
XLogP0.59
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]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-[[1-(2-ethylhexanoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 59153685
2-[hydroxy-[(2S)-1-hydroxy-3-prop-2-enoxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium
CID 87400762
2-[[(2S)-1-[(5Z,17Z)-docosa-5,17-dienoxy]-3-methoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 87063081
2-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxyethyl-trimethylazanium
CID 87337635
ethyl dihydrogen phosphate;trimethyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium
CID 175228586
2-[1,3-bis[(E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-4-enoxy]propan-2-yloxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 102068318
2-[hydroxy-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]propyl]phosphoryl]oxyethyl-trimethylazanium
CID 175135780
2-[hydroxy(2-prop-2-enoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 22568162
2-[[(2R)-1-heptanoyloxy-3-hexanethioyloxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 18664922
2-[[1-[carbamoyl(methyl)amino]-3-icosoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 23313191
2-[(1-acetamido-3-dodecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 23313170
[hydroxy(pentan-3-yloxy)phosphoryl]oxymethyl prop-2-enoate
CID 175583316

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium (CID 59153667) is 2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium is C=CC(=O)OCC(COCCOC)OP(=O)(O)OCC[N+](C)(C)C.
What is the InChIKey of 2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium?
The InChIKey is UMEROCJFUVETSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H28NO8P/c1-6-14(16)21-12-13(11-20-10-9-19-5)23-24(17,18)22-8-7-15(2,3)4/h6,13H,1,7-12H2,2-5H3/p+1.
What are the key properties of 2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium?
2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium has a molecular weight of 370.36 g/mol, XLogP of 0.59, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[1-(2-methoxyethoxy)-3-prop-2-enoyloxypropan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 59153667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).