Cas no 27477-69-6 (Bracurd)
Bracurd structure
Product Name:Bracurd
CAS No:27477-69-6
MF:C11H13BrN2O7
MW:365.134122610092
CID:260277
PubChem ID:3082267
Update Time:2025-04-19
Bracurd Chemical and Physical Properties
Names and Identifiers
-
- Bracurd
- [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-bromoacetate
- 27477-69-6
- Uridine, 2'(or 3')-(bromoacetate)
- 2'(3')-O-Bromoacetyluridine
- DTXSID40181903
-
- Inchi: 1S/C11H13BrN2O7/c12-3-7(16)20-4-5-8(17)9(18)10(21-5)14-2-1-6(15)13-11(14)19/h1-2,5,8-10,17-18H,3-4H2,(H,13,15,19)/t5-,8-,9-,10-/m1/s1
- InChI Key: JOPWEGRFZNWWMQ-UUOKUNOPSA-N
- SMILES: BrCC(=O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=CC(NC2=O)=O)O1)O)O
Computed Properties
- Exact Mass: 363.99059
- Monoisotopic Mass: 363.991
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 483
- 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: _1.2
- Topological Polar Surface Area: 125?2
Experimental Properties
- Density: 1.844
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.624
- PSA: 125.4
Bracurd Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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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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