Basic information
- CAS
80384-36-7- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C#CBr- InChIKey
UKOANMHEMZJGHQ-DJLDLDEBSA-N- Molecular formula
- C11H11BrN2O5
- Average molar mass
- 331.12 g/mol
- Monoisotopic mass
- 329.98513
Overview
structure given in first source
Names & identifiers
- Preferred name
- Uridine, 5-(bromoethynyl)-2'-deoxy-
- IUPAC
- 5-(2-bromoethynyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- English name
- 5-bromoethynyl-2'-deoxyuridine
- Molecular formula
- C11H11BrN2O5
- Molecular weight
- 331.12
Names & synonyms
5-Bromoethynyl-2'-deoxyuridine5-BR-Deoxyuridine80384-36-7Uridine, 5-(bromoethynyl)-2'-deoxy-2'-Deoxy-5-bromoethynyluridineDTXSID90230298RefChem:102201DTXCID901527895-(Bromoethynyl)-2'-deoxyuridineSCHEMBL4176380Uridine, 5-(bromoethynyl)-2'-deoxy- (9CI)5-(2-bromoethynyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Database identifiers
- CAS
80384-36-7- PubChem CID
- 133458
- DTXSID
DTXSID90230298- Nikkaji
- J2.339.758G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Density
- 1.9 · 1.90±0.1 g/cm3(Predicted)
- pka
- 7.51 · 7.51±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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