Cas no 5987-77-9 (9H-Purine,2,6,8-trichloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-)
5987-77-9 structure
Product Name:9H-Purine,2,6,8-trichloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-
CAS No:5987-77-9
MF:C16H15Cl3N4O7
MW:481.671900987625
CID:380583
PubChem ID:253641
Update Time:2025-04-19
9H-Purine,2,6,8-trichloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine,2,6,8-trichloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-
- 3-(3-pyridin-3-yl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl)pyridine
- (1R)-tri-O-acetyl-1-(2,6,8-trichloro-purin-9-yl)-D-1,4-anhydro-ribitol
- (1R)-Tri-O-acetyl-1-(2,6,8-trichlor-purin-9-yl)-D-1,4-anhydro-ribit
- 9-(2,3,5-tri-O-Acetyl-ss-D-ribofuranosyl)-2,6,8-trichloro-purin
- 9-ss-D-(2,3,5-Tri-O-acetylribofuranosyl)-2,6,8-trichlorpurin
- AC1Q6ZM8
- ChemDiv3_001329
- Oprea1_205103
- pyridine, 3,3'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)bis-
- STK005846
- NSC-76762
- DTXSID90975273
- NSC76762
- 5987-77-9
- 2,6,8-trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine
-
- Inchi： 1S/C16H15Cl3N4O7/c1-5(24)27-4-8-10(28-6(2)25)11(29-7(3)26)14(30-8)23-13-9(20-16(23)19)12(17)21-15(18)22-13/h8,10-11,14H,4H2,1-3H3
- InChI Key： YLKMRQLYWKOMDL-UHFFFAOYSA-N
- SMILES： ClC1=NC2C(=NC(=NC=2N1C1C(C(C(COC(C)=O)O1)OC(C)=O)OC(C)=O)Cl)Cl
Computed Properties
- Exact Mass: 314.12674
- Monoisotopic Mass: 480.001
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 30
- Rotatable Bond Count: 8
- Complexity: 689
- 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: 2.5
- Topological Polar Surface Area: 132?2
Experimental Properties
- Density: 1.76
- Boiling Point: 584.8°C at 760 mmHg
- Flash Point: 307.5°C
- Refractive Index: 1.681
- PSA: 62.7
- LogP: 2.11040
9H-Purine,2,6,8-trichloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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