Basic information
- CAS
105847-66-3- Standard SMILES
O=c1[nH]c(=O)n(COCCO)cc1Cc1cccc(OCc2ccc(OCc3ccccc3)cc2)c1- InChIKey
ICNZCFDJXIBTPV-UHFFFAOYSA-N- Molecular formula
- C28H28N2O6
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.19473662
Overview
specific inhibitor for Schistosoma uridine phosphorylase - may selectively interfere with nucleic acid synthesis in this parasite
Names & identifiers
- Preferred name
- 5-(Benzyloxybenzyloxybenzyl)acyclouridine
- IUPAC
- 1-(2-hydroxyethoxymethyl)-5-[[3-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-dione
- English name
- 5-(Benzyloxybenzyloxybenzyl)acyclouridine
- Molecular formula
- C28H28N2O6
- Molecular weight
- 488.53172
Names & synonyms
BBBAU5-(Benzyloxybenzyloxybenzyl)acyclouridine105847-66-3DTXSID201473655-(3-(4-Benzyloxybenzyloxy)benzyl)-1-((2-hydroxyethoxy)methyl)uracilRefChem:101751DTXCID80698562,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-((3-((4-(phenylmethoxy)phenyl)methoxy)phenyl)methyl)-5-[(3-{[4-(Benzyloxy)phenyl]methoxy}phenyl)methyl]-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
105847-66-3- PubChem CID
- 129133
- DTXSID
DTXSID20147365
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 730
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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