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4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile

4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile structure

CAS No:
55559-55-2
Formula:
C11H12N6O4
Chemical Name:
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile
Synonyms:
4-amino-1-pentofuranosyl-1h-pyrazolo[3,4-d]pyrimidine-3-carbonitrile;

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4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile Basic Attributes

Molecular Weight：

292.25100

Exact Mass：

292.09200289 g/mol

NSC Number：

172600|131915

DSSTox ID：

DTXSID90299663

Characteristics

PSA：

163.33000

XLogP3：

-1.52712

Density：

2.07g/cm3

Boiling Point：

720.8ºC at 760mmHg

Flash Point：

389.7ºC

Refractive Index：

1.917

Computed Properties

Molecular Weight:292.25
XLogP3:-1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:292.09200289
Monoisotopic Mass:292.09200289
Topological Polar Surface Area:163
Heavy Atom Count:21
Complexity:444
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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