Cas no 58477-88-6 (5-bromanyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione)
58477-88-6 structure
Product Name:5-bromanyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CAS No:58477-88-6
MF:C9H11BrN2O5
MW:307.112575769424
CID:1610787
PubChem ID:151790
Update Time:2025-04-21
5-bromanyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 5-bromanyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- 58477-88-6
- Uridine, 5-(bromo-80Br)-2'-deoxy-
- DTXSID90207167
-
- Inchi: 1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1/i10+0
- InChI Key: WOVKYSAHUYNSMH-TUKIMCBCSA-N
- SMILES: [80Br]C1C(NC(N(C=1)[C@H]1C[C@@H]([C@@H](CO)O1)O)=O)=O
Computed Properties
- Exact Mass: 306.98533g/mol
- Monoisotopic Mass: 306.98533g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 386
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 99.1?2
5-bromanyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
58477-88-6 (5-bromanyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione) Related Products
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