Cas no 18520-81-5 (Adenine,9-a-D-arabinopyranosyl-, 2',3',4'-triacetate (8CI))
18520-81-5 structure
Product Name:Adenine,9-a-D-arabinopyranosyl-, 2',3',4'-triacetate (8CI)
CAS No:18520-81-5
MF:C16H19N5O7
MW:393.351363420486
CID:234696
PubChem ID:270877
Update Time:2025-04-19
Adenine,9-a-D-arabinopyranosyl-, 2',3',4'-triacetate (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenine,9-a-D-arabinopyranosyl-, 2',3',4'-triacetate (8CI)
- D-(1R)-tri-O-acetyl-1-(6-amino-purin-9-yl)-1,5-anhydro-xylitol
- D-(1R)-Tri-O-acetyl-1-(6-amino-purin-9-yl)-1,5-anhydro-xylit
- 18520-81-5
- NSC-114009
- NSC114009
- DTXSID80939940
- 9-(2,3,4-tri-o-acetylpentopyranosyl)-9h-purin-6-amine
-
- Inchi： 1S/C16H19N5O7/c1-7(22)26-10-4-25-16(13(28-9(3)24)12(10)27-8(2)23)21-6-20-11-14(17)18-5-19-15(11)21/h5-6,10,12-13,16H,4H2,1-3H3,(H2,17,18,19)
- InChI Key： LJUSHLYDDSZMCI-UHFFFAOYSA-N
- SMILES： O1CC(C(C(C1N1C=NC2C(N)=NC=NC1=2)OC(C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 393.12800
- Monoisotopic Mass: 393.128
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 620
- 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: -0.7
- Topological Polar Surface Area: 158?2
Experimental Properties
- Density: 1.62
- Boiling Point: 568.1°Cat760mmHg
- Flash Point: 297.4°C
- Refractive Index: 1.679
- PSA: 157.75000
- LogP: 0.31360
Adenine,9-a-D-arabinopyranosyl-, 2',3',4'-triacetate (8CI) Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
18520-81-5 (Adenine,9-a-D-arabinopyranosyl-, 2',3',4'-triacetate (8CI)) Related Products
- 2140-79-6(2'-O-Methyl Adenosine)
- 7387-57-7(2’,3’,5’-Tri-O-acetyladenosine)
- 73-03-0(Cordycepin)
- 3080-29-3(L-Adenosine)
- 4754-39-6(5'-Deoxyadenosine)
- 5536-17-4(Vidarabine)
- 58-61-7(Adenosine)
- 14585-60-5(Adenosine,5'-amino-2',5'-dideoxy-)
- 14365-44-7(5'-Amino-5'-deoxyadenosine)
- 10300-22-8(3'-O-Methyladenosine)
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