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2-amino-8-(2,3,4-trihydroxybutyl)-3,7-dihydropurin-6-one

2-amino-8-(2,3,4-trihydroxybutyl)-3,7-dihydropurin-6-one structure

CAS No:
120083-56-9
Formula:
C9H13N5O4
Chemical Name:
2-amino-8-(2,3,4-trihydroxybutyl)-3,7-dihydropurin-6-one
Synonyms:
Thb-guanine;

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2-amino-8-(2,3,4-trihydroxybutyl)-3,7-dihydropurin-6-one Basic Attributes

Molecular Weight：

255.23100

Exact Mass：

255.09675391

Characteristics

PSA：

162.13000

XLogP3：

-2.17260

Density：

2.03g/cm3

Boiling Point：

802ºC

Flash Point：

438.9ºC

Refractive Index：

1.86

Vapor Pressure：

3.76E-27mmHg at 25°C

Drug Information

MeSH Entry Terms：

8-(2,3,4-trihydroxybutyl)guanine

Computed Properties

Molecular Weight:255.23
XLogP3:-2.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:255.09675391
Monoisotopic Mass:255.09675391
Topological Polar Surface Area:157
Heavy Atom Count:18
Complexity:363
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-amino-8-(2,3,4-trihydroxybutyl)-3,7-dihydropurin-6-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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