[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium

C19H33NO7P+ — CID 23265514

IUPAC[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium
SMILESCC1(C)OCC(COP(=O)(O)OCC(C[N+](C)(C)C)OCc2ccccc2)O1
InChIInChI=1S/C19H32NO7P/c1-19(2)24-13-18(27-19)15-26-28(21,22)25-14-17(11-20(3,4)5)23-12-16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3/p+1
InChIKeyZJVCCHVAYQXAKM-UHFFFAOYSA-O
MW418.45 g/mol
LogP2.56
Rot. Bonds11

About [3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium

[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium (PubChem CID 23265514) has the molecular formula C19H33NO7P+ and a molecular weight of 418.45 g/mol. Its IUPAC name is [3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium.

Molecular Properties

Compound Name[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium
PubChem CID23265514
Molecular FormulaC19H33NO7P+
Molecular Weight418.45 g/mol
Exact Mass418.20
IUPAC Name[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium
SMILESCC1(C)OCC(COP(=O)(O)OCC(C[N+](C)(C)C)OCc2ccccc2)O1
InChIInChI=1S/C19H32NO7P/c1-19(2)24-13-18(27-19)15-26-28(21,22)25-14-17(11-20(3,4)5)23-12-16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3/p+1
InChIKeyZJVCCHVAYQXAKM-UHFFFAOYSA-O
XLogP2.56
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium?
The IUPAC name of [3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium (CID 23265514) is [3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium.
What is the SMILES notation for [3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium?
The canonical SMILES for [3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium is CC1(C)OCC(COP(=O)(O)OCC(C[N+](C)(C)C)OCc2ccccc2)O1.
What is the InChIKey of [3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium?
The InChIKey is ZJVCCHVAYQXAKM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H32NO7P/c1-19(2)24-13-18(27-19)15-26-28(21,22)25-14-17(11-20(3,4)5)23-12-16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3/p+1.
What are the key properties of [3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium?
[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium has a molecular weight of 418.45 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-hydroxyphosphoryl]oxy-2-phenylmethoxypropyl]-trimethylazanium is sourced from PubChem (CID 23265514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).