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(2R,3S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol structure

CAS No:
4229-57-6
Formula:
C9H12N6O3
Chemical Name:
(2R,3S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
Synonyms:
Abe-cic; Isocoumarin,6a; 7-amino-4-chloro-3-(2-bromoethoxy)isocoumarin; 8-aza-2'-deoxyadenosine; 1H-2-Benzopyran-1-one,7-amino-3-(2-bromoethoxy)-4-chloro; 7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin;Expand

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(2R,3S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol Basic Attributes

Molecular Weight：

252.23000

Exact Mass：

252.09708827 g/mol

NSC Number：

146368

DSSTox ID：

DTXSID60301782

Characteristics

PSA：

132.20000

XLogP3：

-0.97460

Density：

2.11g/cm3

Boiling Point：

651.9ºC at 760 mmHg

Flash Point：

348ºC

Refractive Index：

1.946

Computed Properties

Molecular Weight:252.23
XLogP3:-1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:252.09708827
Monoisotopic Mass:252.09708827
Topological Polar Surface Area:132
Heavy Atom Count:18
Complexity:308
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2R,3S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol

Basic Attributes
Characteristics
Computed Properties

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