Cas no 88508-72-9 ((2R,3R,4S,5R)-2-(2,6-Dimethoxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol)
88508-72-9 structure
Product Name:(2R,3R,4S,5R)-2-(2,6-Dimethoxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS No:88508-72-9
MF:C12H16N4O6
MW:312.278642654419
CID:993091
PubChem ID:11151091
Update Time:2025-04-20
(2R,3R,4S,5R)-2-(2,6-Dimethoxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol Chemical and Physical Properties
Names and Identifiers
-
- (3R,6R,9S,12R)-6,9-dimethyl-3-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
- SCHEMBL7944662
- (2R,3R,4S,5R)-2-(2,6-Dimethoxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
- 88508-72-9
- (2R,3R,4S,5R)-2-(2,6-dimethoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
-
- Inchi： 1S/C12H16N4O6/c1-20-10-6-9(14-12(15-10)21-2)16(4-13-6)11-8(19)7(18)5(3-17)22-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7-,8-,11-/m1/s1
- InChI Key： GPIAHWGIJWPJHB-IOSLPCCCSA-N
- SMILES： O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C=NC2C(=NC(=NC1=2)OC)OC)O)O
Computed Properties
- Exact Mass: 312.10698424g/mol
- Monoisotopic Mass: 312.10698424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 391
- 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: -0.1
- Topological Polar Surface Area: 132?2
(2R,3R,4S,5R)-2-(2,6-Dimethoxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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