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8-Mercaptoinosine

8-Mercaptoinosine structure

CAS No:
27883-25-6
Formula:
C10H12N4O5S
Chemical Name:
8-Mercaptoinosine
Synonyms:
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-3,7-dihydropurin-6-one;

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8-Mercaptoinosine Basic Attributes

Molecular Weight：

300.29100

Exact Mass：

300.05284067

NSC Number：

113948

DSSTox ID：

DTXSID90386345

Characteristics

PSA：

168.48000

XLogP3：

-1.60630

Density：

2.18g/cm3

Boiling Point：

553.1ºC at 760 mmHg

Flash Point：

288.3ºC

Refractive Index：

1.947

Vapor Pressure：

1.54E-14mmHg at 25°C

Computed Properties

Molecular Weight:300.29
XLogP3:-2.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:300.05284067
Monoisotopic Mass:300.05284067
Topological Polar Surface Area:159
Heavy Atom Count:20
Complexity:536
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-Mercaptoinosine

Basic Attributes
Characteristics
Computed Properties

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