Cas no 111265-75-9 ((6R,7S)-7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one)
![(6R,7S)-7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one structure](https://ossimg.kuujia.com/scimg/111500/111265-75-9x500.png)
111265-75-9 structure
Product Name:(6R,7S)-7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
CAS No:111265-75-9
MF:C13H16BrN5O5
MW:402.20064163208
CID:1202999
PubChem ID:183239
Update Time:2025-04-20
(6R,7S)-7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one Chemical and Physical Properties
Names and Identifiers
-
- (6R,7S)-7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
- 111265-75-9
- DTXSID90149573
- Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6R-trans)-
-
- Inchi： 1S/C13H16BrN5O5/c14-5-2-18-12(23)9-10(16-13(18)17-11(5)22)19(4-15-9)8-1-6(21)7(3-20)24-8/h4-8,11,20-22H,1-3H2,(H,16,17)/t5-,6-,7+,8+,11+/m0/s1
- InChI Key： DBHDGKBHUAWSDZ-NRURWVQNSA-N
- SMILES： Br[C@@H]1[C@H](NC2=NC3=C(C(N2C1)=O)N=CN3[C@H]1C[C@@H]([C@@H](CO)O1)O)O
Computed Properties
- Exact Mass: 401.03348g/mol
- Monoisotopic Mass: 401.03348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 565
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.1
- Topological Polar Surface Area: 132?2
(6R,7S)-7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
111265-75-9 ((6R,7S)-7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one) Related Products
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