Cas no 111265-77-1 ((6R,7R)-7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one)
![(6R,7R)-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/111500/111265-77-1x500.png)
111265-77-1 structure
Product Name:(6R,7R)-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:111265-77-1
MF:C13H16BrN5O5
MW:402.20064163208
CID:1203001
PubChem ID:183241
Update Time:2025-04-20
(6R,7R)-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,7R)-7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
- 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-cis)-
- 111265-77-1
-
- 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-/m1/s1
- InChI Key： DBHDGKBHUAWSDZ-ONFVWQTASA-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,7R)-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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
111265-77-1 ((6R,7R)-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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