 Home > Encyclopedia > [(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

[(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

[(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate structure

CAS No:
130007-50-0
Formula:
C23H27F3N4O5
Chemical Name:
[(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

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[(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Basic Attributes

Molecular Weight：

496.47900

Exact Mass：

496.19335446 g/mol

Characteristics

PSA：

97.35000

XLogP3：

2.63990

Density：

1.32g/cm3

Boiling Point：

651ºC

Flash Point：

347.5ºC

Refractive Index：

1.559

Vapor Pressure：

7.9E-17mmHg at 25°C

Drug Information

MeSH Entry Terms：

pentoxifylline MTPA

Computed Properties

Molecular Weight:496.5
XLogP3:3.5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:496.19335446
Monoisotopic Mass:496.19335446
Topological Polar Surface Area:94
Heavy Atom Count:35
Complexity:792
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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