Basic information
- Standard SMILES
Cc1cn([C@@H]2OC(CO)(CO)[C@H](OCc3ccccc3)[C@H]2O)c(=O)[nH]c1=O- InChIKey
HXRLMFAWJGDVOP-IIAWOOMASA-N- Molecular formula
- C18H22N2O7
- Average molar mass
- 378.4 g/mol
Names & identifiers
- Preferred name
- 1-(3-O-Benzy-4-hydroxymethyl-beta-D-xylofuranosyl)thymine
- IUPAC
- 1-[(2R,3R,4R)-3-hydroxy-5,5-bis(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
SCHEMBL2767792HXRLMFAWJGDVOP-IIAWOOMASA-N1-(3-O-Benzy-4-hydroxymethyl-beta-D-xylofuranosyl)thymine1-(3-O-Benzyl-4-C-Hydroxymethyl-beta-D-Xylofuranosyl)Thymine
Database identifiers
- PubChem CID
- 10691038
- Nikkaji
- J1.402.183C
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 599
Related reactions
4 records
Linked notes
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