Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOc1ccc(CNc2nc3ccccc3n2[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1OCCCCl- InChIKey
MVVALPQVYMZETN-CXDXLJMYSA-N- Molecular formula
- C30H36ClN3O9
- Average molar mass
- 618.1 g/mol
Names & identifiers
- Preferred name
- 2-[3-(3-Chloropropoxy)-4-ethoxybenzylamino]-1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-1H-benzimidazole
- IUPAC
- [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-[[3-(3-chloropropoxy)-4-ethoxyphenyl]methylamino]benzimidazol-1-yl]oxolan-2-yl]methyl acetate
Names & synonyms
SCHEMBL3921385MVVALPQVYMZETN-CXDXLJMYSA-N2-[3-(3-Chloropropoxy)-4-ethoxybenzylamino]-1-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-1H-benzimidazole
Database identifiers
- PubChem CID
- 57720168
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 17
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 929
Related reactions
1 records
Compound notes
Loading…