CAS 2627-62-5 | Adenosine, 2'-chloro-2'-deoxy- | CAS Number 2627-62-5

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2627-62-5 | Adenosine, 2'-chloro-2'-deoxy-

CAS No: 2627-62-5 Catalog No: AG002SJG MDL No:

Product Description

Catalog Number:

AG002SJG

Chemical Name:

Adenosine, 2'-chloro-2'-deoxy-

CAS Number:

2627-62-5

Molecular Formula:

C10H12ClN5O3

Molecular Weight:

285.6870

IUPAC Name:

(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol

InChI:

InChI=1S/C10H12ClN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1

InChI Key:

ADXUXRNLBYKGOA-QYYRPYCUSA-N

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)Cl)n1cnc2c1ncnc2N

UNII:

3MR7O4XF3U

Properties

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.688g/mol

Monoisotopic Mass:

285.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
Multiorgan histiocytosis after B-cell acute lymphoblastic leukemia.	The American Journal of dermatopathology 20110701
2'-Chlorodeoxyadenosine (2-CdA) as salvage therapy for Langerhans cell histiocytosis (LCH). results of the LCH-S-98 protocol of the Histiocyte Society.	Pediatric blood & cancer 20091215
CD80 antigen expression as a predictor of ex vivo chemosensitivity in chronic lymphocytic leukemia.	Leukemia research 20020501
Actions of the selective protein kinase C inhibitor PKC412 on B-chronic lymphocytic leukemia cells in vitro.	Haematologica 20020201