Cas no 13116-43-3 (Adenine,9-(3-amino-3,5-dideoxy-b-D-xylofuranosyl)- (8CI))
13116-43-3 structure
Product Name:Adenine,9-(3-amino-3,5-dideoxy-b-D-xylofuranosyl)- (8CI)
CAS No:13116-43-3
MF:C10H14N6O2
MW:250.257160663605
CID:221816
PubChem ID:262974
Update Time:2025-04-19
Adenine,9-(3-amino-3,5-dideoxy-b-D-xylofuranosyl)- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenine,9-(3-amino-3,5-dideoxy-b-D-xylofuranosyl)- (8CI)
- SCHEMBL6674363
- NSC97112
- 13116-40-0
- 9-(3-amino-3,5-dideoxypentofuranosyl)-9h-purin-6-amine
- 13116-43-3
- NSC99197
- NSC-99197
- DTXSID80294561
- NSC-97112
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- Inchi： 1S/C10H14N6O2/c1-4-5(11)7(17)10(18-4)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,11H2,1H3,(H2,12,13,14)
- InChI Key： MYWDDWKDEIXHFD-UHFFFAOYSA-N
- SMILES： O1C(C)C(C(C1N1C=NC2C(N)=NC=NC1=2)O)N
Computed Properties
- Exact Mass: 250.118
- Monoisotopic Mass: 250.118
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 319
- 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: _0.8
- Topological Polar Surface Area: 125?2
Experimental Properties
- Density: 1.93
- Boiling Point: 579.3°C at 760 mmHg
- Flash Point: 304.2°C
Adenine,9-(3-amino-3,5-dideoxy-b-D-xylofuranosyl)- (8CI) Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
13116-43-3 (Adenine,9-(3-amino-3,5-dideoxy-b-D-xylofuranosyl)- (8CI)) Related Products
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