Cas no 648881-77-0 (2,4(1H,3H)-Pyrimidinedione, 1-[(2E)-4,5-dihydroxy-2-pentenyl]-5-iodo-)
![2,4(1H,3H)-Pyrimidinedione, 1-[(2E)-4,5-dihydroxy-2-pentenyl]-5-iodo- structure](https://ossimg.kuujia.com/scimg/649000/648881-77-0x500.png)
648881-77-0 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 1-[(2E)-4,5-dihydroxy-2-pentenyl]-5-iodo-
CAS No:648881-77-0
MF:C9H11IN2O4
MW:338.099114656448
CID:413547
PubChem ID:71378198
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione, 1-[(2E)-4,5-dihydroxy-2-pentenyl]-5-iodo- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione, 1-[(2E)-4,5-dihydroxy-2-pentenyl]-5-iodo-
- 1-(4,5-dihydroxypent-2-enyl)-5-iodopyrimidine-2,4-dione
- 1-(4,5-Dihydroxypent-2-en-1-yl)-5-iodopyrimidine-2,4(1H,3H)-dione
- 648881-77-0
- DTXSID00800820
-
- Inchi： 1S/C9H11IN2O4/c10-7-4-12(9(16)11-8(7)15)3-1-2-6(14)5-13/h1-2,4,6,13-14H,3,5H2,(H,11,15,16)
- InChI Key： RGBBOUNLQAJYOW-UHFFFAOYSA-N
- SMILES： IC1C(NC(N(C=1)CC=CC(CO)O)=O)=O
Computed Properties
- Exact Mass: 337.97635g/mol
- Monoisotopic Mass: 337.97635g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 353
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: -1.2
- Topological Polar Surface Area: 89.9?2
2,4(1H,3H)-Pyrimidinedione, 1-[(2E)-4,5-dihydroxy-2-pentenyl]-5-iodo- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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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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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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