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4-amino-7-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-7-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile structure

CAS No:
115044-83-2
Formula:
C12H11N5O2
Chemical Name:
4-amino-7-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Synonyms:
7-Cyano-7-deaza-2',3'-didehydrodideoxyadenosine; D4Toy; 2',3'-dideoxy-2',3'-didehydrotoyocamycin;

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4-amino-7-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Basic Attributes

Molecular Weight：

257.24800

Exact Mass：

257.09127461 g/mol

DSSTox ID：

DTXSID30150946

Characteristics

PSA：

109.98000

XLogP3：

0.91228

Density：

1.62g/cm3

Boiling Point：

605.6ºC at 760 mmHg

Flash Point：

320.1ºC

Refractive Index：

1.781

Vapor Pressure：

1.61E-15mmHg at 25°C

Computed Properties

Molecular Weight:257.25
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:257.09127461
Monoisotopic Mass:257.09127461
Topological Polar Surface Area:110
Heavy Atom Count:19
Complexity:420
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-amino-7-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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