Cas no 21679-15-2 (Adenine, 9-a-D-arabinofuranosyl-2-fluoro-(8CI))
21679-15-2 structure
Product Name:Adenine, 9-a-D-arabinofuranosyl-2-fluoro-(8CI)
CAS No:21679-15-2
MF:C10H12FN5O4
MW:285.231784820557
CID:255745
PubChem ID:36689671
Update Time:2025-04-19
Adenine, 9-a-D-arabinofuranosyl-2-fluoro-(8CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenine, 9-a-D-arabinofuranosyl-2-fluoro-(8CI)
- 9-ALPHA-D-ARABINOFURANOSYL-2-FLUOROADENINE
- bis(4-tert-butylphenyl) hydrogen phosphate
- [(2R,3R,4S,5R)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid
- [3H]-Fludarabine
- AC1L33VK
- AC1Q6S6J
- AR-1I0385
- Bis(p-tert-butylphenyl) hydrogen phosphate
- CTK8D9941
- EINECS 244-245-3
- Fludarabine
- Phenol, 4-(1,1-dimethylethyl)-, hydrogen phosphate
- SureCN504554
- DTXSID501239162
- Fludarabine (Fludara)
- SW220269-1
- PD062817
- 21679-15-2
- (2S,3S,4S,5R)-2-(6-amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- (2S,3S,4S,5R)-2-(6-Amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
- 9-alpha-D-Arabinofuranosyl-2-fluoro-9H-purin-6-amine
- 9-A-D-ARABINOFURANOSYL-2-FLUOROADENINE
-
- Inchi： 1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9+/m1/s1
- InChI Key： HBUBKKRHXORPQB-ICKFSKTQSA-N
- SMILES： FC1N=C(C2=C(N=1)N(C=N2)[C@@H]1[C@H]([C@@H]([C@@H](CO)O1)O)O)N
Computed Properties
- Exact Mass: 362.16481
- Monoisotopic Mass: 285.087
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 367
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _0.6
- Topological Polar Surface Area: 140A^2
Experimental Properties
- Density: 2.17
- Melting Point: 260 deg C
- Boiling Point: 747.3°Cat760mmHg
- Flash Point: 405.8°C
- PSA: 55.76
- LogP: 5.83980
Adenine, 9-a-D-arabinofuranosyl-2-fluoro-(8CI) Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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