Cas no 16755-01-4 (9H-Purine,2,6-dichloro-9-(2,3,4-tri-O-acetyl-b-D-ribopyranosyl)- (9CI))
16755-01-4 structure
Product Name:9H-Purine,2,6-dichloro-9-(2,3,4-tri-O-acetyl-b-D-ribopyranosyl)- (9CI)
CAS No:16755-01-4
MF:C16H16Cl2N4O7
MW:447.226841926575
CID:216941
PubChem ID:264365
Update Time:2025-04-19
9H-Purine,2,6-dichloro-9-(2,3,4-tri-O-acetyl-b-D-ribopyranosyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine,2,6-dichloro-9-(2,3,4-tri-O-acetyl-b-D-ribopyranosyl)- (9CI)
- 16755-01-4
- DTXSID60937348
- NSC99438
- 2,6-dichloro-9-(2,3,4-tri-o-acetylpentopyranosyl)-9h-purine
- NSC-99438
-
- Inchi： 1S/C16H16Cl2N4O7/c1-6(23)27-9-4-26-15(12(29-8(3)25)11(9)28-7(2)24)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3
- InChI Key： PMTIEPHCACAGRT-UHFFFAOYSA-N
- SMILES： ClC1C2=C(N=C(N=1)Cl)N(C=N2)C1C(C(C(CO1)OC(C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 446.03978
- Monoisotopic Mass: 446.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 29
- Rotatable Bond Count: 7
- Complexity: 657
- 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: 1.5
- Topological Polar Surface Area: 132?2
Experimental Properties
- Density: 1.69
- Boiling Point: 532.2°Cat760mmHg
- Flash Point: 275.6°C
- Refractive Index: 1.671
- PSA: 131.73
9H-Purine,2,6-dichloro-9-(2,3,4-tri-O-acetyl-b-D-ribopyranosyl)- (9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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