Basic information
- CAS
326802-60-2- Standard SMILES
O=C(Nc1ccn(COC(CO)CO)c(=O)n1)c1ccccc1- InChIKey
ZZODTVSJNDQNLV-UHFFFAOYSA-N- Molecular formula
- C15H17N3O5
- Average molar mass
- 319.31 g/mol
Names & identifiers
- Preferred name
- N4-Benzoyl-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]cytosine
- IUPAC
- N-[1-(1,3-dihydroxypropan-2-yloxymethyl)-2-oxopyrimidin-4-yl]benzamide
- English name
- N4-Benzoyl-1-[[2-hydroxy-1-(hydroxy methyl)ethoxy] methyl]cytosine
- Molecular formula
- C15H17N3O5
- Molecular weight
- 319.31
Names & synonyms
N4-Benzoyl-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]cytosine326802-60-2N4-Benzoyl-1-[[2-hydroxy-1-(hydroxy methyl)ethoxy] methyl]cytosineBenzamide, N-[1,2-dihydro-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-2-oxo-4-pyrimidinyl]-
Database identifiers
- CAS
326802-60-2
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 8.69 · 8.69±0.20(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]
郑州格然林科技有限公司0371-85513397 +86-18610099868 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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