Basic information
- CAS
80991-41-9- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](n2cc(C)c(-n3cncn3)nc2=O)C[C@@H]1OC(C)=O- InChIKey
CPXMZBUOUUNODF-BFHYXJOUSA-N- Molecular formula
- C16H19N5O6
- Average molar mass
- 377.35 g/mol
- Monoisotopic mass
- 377.13353334
Names & identifiers
- Preferred name
- [(2R,3S,5R)-3-acetyloxy-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
- IUPAC
- [(2R,3S,5R)-3-acetyloxy-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
- English name
- 1-(3,5-DI-O-ACETYL-BETA-D-RIBOFURANOSYL)-4-(1,2,4-TRIAZOL-L-YL)-5-METHYLPYRMIDIN-2-ONE
- Molecular formula
- C16H19N5O6
- Molecular weight
- 377.35
Names & synonyms
80991-41-9[(2R,3S,5R)-3-acetyloxy-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate1-(3,5-Di-O-acetyl-2-deoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)-2(1H)-pyrimidinoneCHEMBL3142633DTXSID001001679[(2R,3S,5R)-3-acetoxy-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl acetate1-(3,5-Di-O-acetyl-2-deoxy-.beta.-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)-2(1H)-pyrimidinone1-(3,5-Di-O-acetyl-2-deoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1H-1,2,4-triazol-1-yl)pyrimidin-2(1H)-one1-(3,5-Di-O-acetyl-2-deoxypentofuranosyl)-5-methyl-4-(1H-1,2,4-triazol-1-yl)pyrimidin-2(1H)-oneAids082083Aids-0820831-(3,5-Di-o-acetyl-beta-D-ribofuranosyl)-4-(1,2,4-triazol-L-yl)-5-methylpyrmidin-1-one
Show more names
1-(3,5-DI-O-ACETYL-BETA-D-RIBOFURANOSYL)-4-(1,2,4-TRIAZOL-L-YL)-5-METHYLPYRMIDIN-2-ONE1-(3,5-Di-O-acetyl-β-D-deoxyribofuranosyl)-4-(1,2,4-triazol-1-yl)-5-methylpyrmidin-2-one
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 693
Physicochemical properties
- Boiling point
- 578.1 · 578.1±60.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 0.09 · 0.09±0.12(Predicted)
Chemistry & industry
Suppliers3 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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