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1-[10-hydroxy-11-(octylamino)undecyl]-3,7-dimethylpurine-2,6-dione

1-[10-hydroxy-11-(octylamino)undecyl]-3,7-dimethylpurine-2,6-dione structure

CAS No:
166981-11-9
Formula:
C26H47N5O3
Chemical Name:
1-[10-hydroxy-11-(octylamino)undecyl]-3,7-dimethylpurine-2,6-dione
Synonyms:
CT2576; 1H-Purine-2,6-dione,3,7-dihydro-1-(10-hydroxy-11-(octylamino)undecyl)-3,7-dimethyl; 1-(11-Octylamino-10-hydroxyundecyl)-3,7-dimethylxanthine;

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1-[10-hydroxy-11-(octylamino)undecyl]-3,7-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

477.68300

Exact Mass：

477.36789038 g/mol

Characteristics

PSA：

94.08000

XLogP3：

4.25640

Density：

1.12g/cm3

Boiling Point：

655.8ºC

Flash Point：

350.4ºC

Refractive Index：

1.559

Vapor Pressure：

4.32E-18mmHg at 25°C

Drug Information

MeSH Entry Terms：

1-(11-octylamino-10-hydroxyundecyl)-3,7-dimethylxanthine

Computed Properties

Molecular Weight:477.7
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:19
Exact Mass:477.36789038
Monoisotopic Mass:477.36789038
Topological Polar Surface Area:90.7
Heavy Atom Count:34
Complexity:591
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[10-hydroxy-11-(octylamino)undecyl]-3,7-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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