Cas no 339091-08-6 (9H-Purine,2,6-dichloro-9-(2,3,5-tri-O-benzoyl-b-L-ribofuranosyl)-)
339091-08-6 structure
Product Name:9H-Purine,2,6-dichloro-9-(2,3,5-tri-O-benzoyl-b-L-ribofuranosyl)-
CAS No:339091-08-6
MF:C31H22Cl2N4O7
MW:633.434985637665
CID:302063
PubChem ID:118855879
Update Time:2025-04-19
9H-Purine,2,6-dichloro-9-(2,3,5-tri-O-benzoyl-b-L-ribofuranosyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine,2,6-dichloro-9-(2,3,5-tri-O-benzoyl-b-L-ribofuranosyl)-
- 9-(2’’, 3’’, 5’’-TRI-O-BENZOYL-β-L-RIBOFURANOSYL)-2, 6-DICHLOROPURINE
- 9-(2'', 3'', 5''-TRI-O-BENZOYL-β-L-RIBOFURANOSYL)-2, 6-DICHLOROPURINE
- 9-(2'', 3'', 5''-TRI-O-BENZOYL-beta-L-RIBOFURANOSYL)-2, 6-DICHLOROPURINE
- 9-(2'',3'',5''-Tri-O-benzoyl-beta-L-ribofuranosyl)-2,6-dichloropurine
- 339091-08-6
-
- Inchi: 1S/C31H22Cl2N4O7/c32-25-22-26(36-31(33)35-25)37(17-34-22)27-24(44-30(40)20-14-8-3-9-15-20)23(43-29(39)19-12-6-2-7-13-19)21(42-27)16-41-28(38)18-10-4-1-5-11-18/h1-15,17,21,23-24,27H,16H2/t21-,23-,24-,27-/m0/s1
- InChI Key: ZPGKWLKJXHFRJL-YQNORIIPSA-N
- SMILES: ClC1C2=C(N=C(N=1)Cl)N(C=N2)[C@@H]1[C@H]([C@H]([C@H](COC(C2C=CC=CC=2)=O)O1)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 632.08700
- Monoisotopic Mass: 632.0865544g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 44
- Rotatable Bond Count: 11
- Complexity: 1010
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.5
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 131.73000
- LogP: 5.33870
9H-Purine,2,6-dichloro-9-(2,3,5-tri-O-benzoyl-b-L-ribofuranosyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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