[(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate

C45H44NO7P — CID 18611191

IUPAC[(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate
SMILESCC(=O)O[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)COP(=O)(O)OCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H44NO7P/c1-36(47)53-43(34-50-45(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42)35-52-54(48,49)51-33-32-46-44(37-20-8-2-9-21-37,38-22-10-3-11-23-38)39-24-12-4-13-25-39/h2-31,43,46H,32-35H2,1H3,(H,48,49)/t43-/m1/s1
InChIKeyNRNNTVKJAWPHNS-VZUYHUTRSA-N
MW741.82 g/mol
LogP8.64
Rot. Bonds18

About [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate

[(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate (PubChem CID 18611191) has the molecular formula C45H44NO7P and a molecular weight of 741.82 g/mol. Its IUPAC name is [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate
PubChem CID18611191
Molecular FormulaC45H44NO7P
Molecular Weight741.82 g/mol
Exact Mass741.29
IUPAC Name[(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate
SMILESCC(=O)O[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)COP(=O)(O)OCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H44NO7P/c1-36(47)53-43(34-50-45(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42)35-52-54(48,49)51-33-32-46-44(37-20-8-2-9-21-37,38-22-10-3-11-23-38)39-24-12-4-13-25-39/h2-31,43,46H,32-35H2,1H3,(H,48,49)/t43-/m1/s1
InChIKeyNRNNTVKJAWPHNS-VZUYHUTRSA-N
XLogP8.64
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.82
LogP ≤ 58.64
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate 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 [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate?
The IUPAC name of [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate (CID 18611191) is [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate?
The canonical SMILES for [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate is CC(=O)O[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)COP(=O)(O)OCCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate?
The InChIKey is NRNNTVKJAWPHNS-VZUYHUTRSA-N. The full InChI is InChI=1S/C45H44NO7P/c1-36(47)53-43(34-50-45(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42)35-52-54(48,49)51-33-32-46-44(37-20-8-2-9-21-37,38-22-10-3-11-23-38)39-24-12-4-13-25-39/h2-31,43,46H,32-35H2,1H3,(H,48,49)/t43-/m1/s1.
What are the key properties of [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate?
[(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate has a molecular weight of 741.82 g/mol, XLogP of 8.64, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[hydroxy-[2-(tritylamino)ethoxy]phosphoryl]oxy-3-trityloxypropan-2-yl] acetate is sourced from PubChem (CID 18611191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).