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Basic information
- Standard SMILES
N#Cc1ccc(C(NC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccccc2)cc1- InChIKey
HWLCXDOTLVRRJS-ZWEKWIFMSA-N- Molecular formula
- C29H26N4O4
- Average molar mass
- 494.5 g/mol
- Monoisotopic mass
- 494.19540532
Names & identifiers
- Preferred name
- 5'-[(4-Cyanotrityl)amino]-2',5'-dideoxyuridine
- IUPAC
- 4-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methylamino]-diphenylmethyl]benzonitrile
Names & synonyms
SCHEMBL3579737HWLCXDOTLVRRJS-ZWEKWIFMSA-N5'-[(4-cyanotrityl)amino]-2',5'-dideoxyuridine
Database identifiers
- PubChem CID
- 68700677
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 875
Related reactions
1 records
Compound notes
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